data_1mc7_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 1mc7 _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 ' 2' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' LEU . 91.0 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -156.33 155.95 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 HD12 ' CA ' ' A' ' 66' ' ' ASP . 1.6 pp -120.17 169.55 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.569 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 5.2 p -157.97 168.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 46.0 mm -46.55 139.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 28.4 p90 -133.85 143.04 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.498 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.7 tp -45.31 124.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -59.3 -43.18 97.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -179.99 163.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.458 ' CD1' HG23 ' A' ' 45' ' ' ILE . 2.7 mp -112.69 123.05 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.0 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 HG23 ' CD1' ' A' ' 33' ' ' ILE . 36.1 mm . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.1 mt-10 -127.76 161.48 55.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.49 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.93 17.56 21.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' MET . 22.7 t0 -59.03 -29.64 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 79.56 48.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.7 tm? -89.53 87.94 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.49 5.96 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 5.6 pt20 -134.26 154.73 51.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 5.4 t -140.28 152.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.5 t-20 39.84 -141.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.03 2.38 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -84.17 153.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -150.88 90.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 23.1 m-85 -76.59 52.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.98 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.06 -25.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.555 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -61.92 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t 36.6 54.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.7 t30 -91.69 22.11 4.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 46.04 25.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.466 ' CA ' HD12 ' A' ' 16' ' ' ILE . 52.7 m-20 -162.87 29.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.03 -16.94 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.4 t -57.21 -41.04 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.16 -24.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -110.1 -46.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.02 -42.56 49.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -19.03 65.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.36 -19.19 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -68.92 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.35 -37.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 t -55.85 -62.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.5 mt-30 -133.16 -134.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 33.4 p -41.06 160.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.8 121.88 5.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.49 32.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.3 mt -83.0 144.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.85 45.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -32.34 146.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m -141.91 149.94 40.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' N ' HG23 ' A' ' 84' ' ' THR . 11.8 m -134.55 154.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -163.41 154.57 16.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.09 173.32 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.633 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 7.8 p -169.73 174.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.44 138.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.633 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 26.1 p90 -130.88 142.98 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 6.0 tp -46.53 128.97 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.74 97.23 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.93 161.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 45' ' ' ILE . 4.7 mp -129.31 135.13 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 23.6 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -134.77 170.44 11.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.03 -39.55 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.87 34.69 2.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -81.57 -28.69 33.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER 80.78 50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 2.2 tm? -94.3 83.55 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.46 3.99 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.8 pt20 -132.64 149.03 52.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ASN . 25.0 t -133.51 153.37 36.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.0 t-20 38.52 -141.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 5.87 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.92 152.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.429 ' N ' HG13 ' A' ' 57' ' ' VAL . 74.3 m-80 -147.74 89.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 22.4 m-85 -76.13 52.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.01 -75.48 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -44.52 -28.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.568 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -56.69 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 33.64 49.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -91.56 28.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' ASN . 16.2 t0 38.85 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 64' ' ' ASN . 36.8 m-20 -166.62 31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -14.87 23.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.5 t -58.81 -41.89 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.16 -24.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -109.14 -46.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.78 -40.72 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 19.2 ttt85 -66.0 -18.46 65.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.95 -19.78 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.1 mm -66.71 -92.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.58 -38.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.4 t -51.79 -60.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.22 -118.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' GLN . 64.5 p -52.4 -173.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.47 115.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.97 32.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.4 mt -73.12 147.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.91 51.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 82' ' ' SER . 6.7 mt -35.37 152.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.476 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 54.4 m -142.5 140.36 31.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG13 ' C ' ' A' ' 84' ' ' THR . 10.4 m -137.28 153.69 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -167.5 164.23 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' CG2' ' A' ' 68' ' ' VAL . 1.4 pp -121.18 170.74 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 p -165.51 173.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -44.99 136.82 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.778 . . . . 0.0 109.253 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' A' ' 27' ' ' GLY . 6.8 m-85 -121.87 148.07 45.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.7 tp -51.75 126.81 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.25 -49.29 69.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.4 ' C ' ' CD1' ' A' ' 33' ' ' ILE . 89.4 p 180.0 166.78 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.7 mp -127.51 128.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 1.6 mt-10 -112.86 166.2 11.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -37.93 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.38 19.73 30.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 50' ' ' MET . 21.5 t70 -62.59 -24.86 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 78.0 49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.6 tm? -91.94 85.94 5.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.03 4.33 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -134.82 153.73 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 55' ' ' ASN . 69.2 t -138.54 155.7 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' VAL . 36.0 t30 37.68 -138.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -84.31 9.66 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 t -89.69 158.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 42.3 m-20 -150.46 88.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.521 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 24.6 m-85 -77.21 53.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.56 -55.75 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -14.83 27.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.521 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 2.5 tpp -73.19 -83.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.3 t 34.63 57.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.7 13.67 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.22 17.43 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -166.24 30.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 -18.01 9.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 16' ' ' ILE . 2.1 t -53.24 -40.9 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -24.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 110.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -107.81 -48.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.82 -42.47 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -63.45 -19.13 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -78.43 -20.92 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.6 mm -66.86 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.26 -37.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -55.35 -63.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.5 OUTLIER -131.81 -132.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 40.8 p -41.4 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.33 121.56 4.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.73 31.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.799 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.5 mt -80.89 146.53 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.15 48.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' SER . 6.2 mt -35.65 151.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.483 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 31.7 m -140.72 143.49 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 21.9 m -136.11 153.06 31.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.541 1.15 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -164.78 156.01 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pp -116.2 174.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 14.2 p -167.38 172.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 50.1 mm -49.32 138.47 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 5.8 p90 -132.39 143.59 49.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.9 tp -47.19 122.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.83 -43.93 87.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 p -179.97 169.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 45' ' ' ILE . 5.4 mp -124.22 134.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.3 mm . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 45' ' ' ILE . 2.1 mt-10 -117.96 163.85 22.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.94 15.12 33.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -54.39 -31.23 54.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.374 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.05 46.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 1.6 tm? -86.34 81.48 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.41 1.67 7.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG3' ' C ' ' A' ' 84' ' ' THR . 1.2 pt20 -132.57 153.44 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . 14.4 t -139.32 153.94 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.5 t-20 38.1 -141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.83 2.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.9 153.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -151.72 89.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 26.7 m-85 -77.39 51.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.2 mm-40 -65.18 -75.75 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.71 -29.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.573 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.05 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 35.43 49.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' N ' ' A' ' 66' ' ' ASP . 8.5 t30 -91.15 29.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 t0 39.77 29.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 64' ' ' ASN . 34.3 m-20 -163.21 28.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -15.09 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.6 t -60.01 -41.79 87.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -25.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -108.89 -46.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -42.53 44.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.12 -20.18 63.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -76.74 -22.81 53.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.7 mm -66.71 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.74 -38.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -53.26 -62.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.3 mt-30 -137.9 -129.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 81.7 p -40.27 160.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.29 118.72 4.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 145.97 32.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.6 mt -79.65 145.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 155.2 46.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.412 1.07 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -32.05 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.529 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 53.5 m -136.2 147.69 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.428 HG11 ' C ' ' A' ' 84' ' ' THR . 1.2 m -142.17 155.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.6 1.188 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.92 154.45 32.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -113.86 172.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.639 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 14.6 p -163.32 173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' H ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 43.0 mm -47.35 140.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.639 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 15.4 p90 -132.02 151.3 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.4 tp -52.64 120.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.99 -45.24 72.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m 179.98 166.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 0.723 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 45' ' ' ILE . 2.7 mp -113.71 123.99 69.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 19.4 mm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.9 mt-10 -129.76 161.39 59.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.96 -34.68 3.68 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.51 18.43 14.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.8 OUTLIER -57.5 -30.96 65.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 0.816 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 3.0 tpp 85.62 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 83' ' ' LEU . 2.4 tm? -88.57 83.55 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.25 1.49 5.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' THR . 3.6 pt20 -137.49 153.64 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 13.8 t -139.75 153.01 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.3 t-20 37.86 -140.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.73 0.9 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.576 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.73 150.09 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -150.09 88.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.646 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.0 m-85 -80.19 50.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 62' ' ' MET . 1.3 mt-10 -62.08 -74.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.33 -28.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.646 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.13 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.0 t 31.0 52.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -90.95 27.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 41.0 29.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 64' ' ' ASN . 7.6 p30 -166.79 30.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.168 . . . . 0.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -14.65 22.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.2 t -56.14 -42.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -42.91 -25.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.46 -47.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.45 -43.41 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -62.5 -18.93 62.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 pt-20 -78.81 -21.82 47.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.233 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.41 -91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.11 -38.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.4 t -51.74 -61.64 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -133.11 -121.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLN . 23.5 p -49.87 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.13 117.77 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.562 1.164 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 148.26 35.17 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.8 mt -78.66 144.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER 155.6 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -30.42 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' GLN . 85.3 m -133.64 143.25 48.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.073 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 84' ' ' THR . 16.8 m -138.34 155.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.45 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.39 165.59 36.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 ' CA ' ' A' ' 66' ' ' ASP . 1.3 pp -129.22 176.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.516 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 4.2 p -167.84 168.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.401 ' CG2' ' HB ' ' A' ' 16' ' ' ILE . 36.4 mm -46.07 137.86 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 21.1 p90 -132.31 142.99 49.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.9 tp -43.56 123.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -46.31 92.26 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.92 169.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 45' ' ' ILE . 4.4 mp -126.42 129.07 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 18.4 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -127.44 162.48 48.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -40.04 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.808 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.74 36.75 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.6 t0 -81.95 -24.09 35.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 77.24 50.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 2.0 tm? -92.31 84.97 5.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.56 5.43 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 5.5 pt20 -134.28 153.1 52.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' ASN . 14.3 t -139.45 154.82 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 54' ' ' VAL . 14.9 t30 38.29 -142.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.407 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -77.23 2.19 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.18 154.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' HG12 ' A' ' 57' ' ' VAL . 15.2 m120 -154.57 90.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 22.5 m-85 -78.69 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.4 mm-40 -64.93 -74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.7 -27.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.49 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -60.85 -84.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 34.98 57.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.99 9.93 18.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.9 t0 64.32 19.6 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.444 ' CA ' HD11 ' A' ' 16' ' ' ILE . 16.8 p30 -162.33 29.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.82 -18.25 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -55.05 -39.68 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.86 -24.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -107.65 -47.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.68 -43.77 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.8 ttp180 -61.38 -20.83 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.382 1.051 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -76.74 -20.57 56.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.58 -92.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.85 -38.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.9 t -53.54 -60.94 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.0 mt-30 -130.42 -121.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' GLN . 31.9 p -51.43 -174.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.348 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.12 116.84 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.24 37.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.6 mt -77.77 144.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 158.54 49.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -32.34 145.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 56.1 m -138.36 142.92 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -136.54 153.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' CB ' ' SD ' ' A' ' 50' ' ' MET . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' LEU . 38.6 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.43 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' GLY . 59.5 p -150.89 152.97 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -113.83 171.71 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 7.2 p -163.29 170.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.085 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 34.3 mm -44.21 138.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.401 ' N ' HG21 ' A' ' 28' ' ' ILE . 15.8 p90 -129.98 142.94 50.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.6 tp -46.76 126.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -64.05 -40.63 98.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -179.69 163.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.53 120.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 9.8 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -131.15 163.7 47.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.01 -37.31 2.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.29 30.24 5.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -76.74 -26.05 54.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.28 48.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 tm? -92.54 84.78 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.76 4.21 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' C ' ' A' ' 84' ' ' THR . 5.0 pt20 -133.41 155.79 48.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 57' ' ' VAL . 9.1 t -139.96 150.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' VAL . 28.5 t30 39.23 -139.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.1 3.17 18.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -85.8 147.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -147.29 88.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.662 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.1 m-85 -79.6 49.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.14 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.62 -25.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.662 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -58.59 -76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.08 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 1.4 t 30.63 51.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.7 t-20 -91.05 23.18 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 42.9 27.59 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 64' ' ' ASN . 21.6 m-20 -164.92 29.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.43 -16.5 15.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.446 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.4 t -56.22 -43.46 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.37 -25.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -108.96 -43.72 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.447 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -53.48 -39.11 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.64 -16.32 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.82 -19.99 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -64.78 -89.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.9 -37.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.368 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -54.89 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -135.06 -131.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 53.7 p -40.04 160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.7 4.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.51 31.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.519 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.5 mt -82.53 145.19 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 83' ' ' LEU . 3.8 t 156.79 47.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -28.43 139.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.453 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 57.6 m -134.38 141.39 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 23.8 m -134.12 154.38 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 47.8 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -167.15 155.61 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -109.13 172.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.515 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 4.4 p -163.31 179.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 40.1 mm -49.24 135.88 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 27' ' ' GLY . 2.9 m-85 -119.1 163.87 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.519 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.3 tp -64.55 122.29 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.69 -49.76 56.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.92 164.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 45' ' ' ILE . 4.5 mp -128.25 120.67 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.3 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.4 mt-10 -134.88 161.15 65.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.519 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -34.08 4.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.05 17.06 53.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -57.37 -25.34 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.2 ttt 81.59 54.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 3.2 tm? -92.82 85.19 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.46 5.77 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.4 pt20 -138.07 148.37 44.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ASN . 19.1 t -137.81 152.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 23.0 t30 38.68 -138.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 4.7 p-10 -83.25 7.63 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -85.83 160.22 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.0 p30 -152.4 90.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 21.8 m-85 -80.3 52.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.56 -51.14 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -10.17 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.566 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 1.4 ttp -77.34 -84.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 31.47 40.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 22.1 t30 -58.64 -66.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.45 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -139.46 47.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.41 -24.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 70' ' ' VAL . 1.5 t -42.8 -43.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -41.53 -26.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -106.2 -48.95 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.7 -43.47 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 4.9 ttt85 -62.45 -19.32 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt-20 -78.48 -20.64 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.3 mm -63.8 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.441 HG11 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.98 -38.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.7 t -53.84 -62.45 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.5 mt-30 -127.78 -118.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.6 p -52.19 -173.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.0 115.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.89 37.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.3 mt -76.68 144.47 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 157.98 47.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 0.0 110.036 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -33.94 141.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' GLN . 99.5 m -135.07 139.05 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 23.6 m -137.03 155.54 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.0 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' GLY . 54.0 p -163.76 155.85 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -114.21 171.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 7.5 p -158.91 169.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 45.2 mm -49.04 140.86 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 10.2 p90 -136.6 154.02 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.5 tp -52.45 119.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.35 -46.04 81.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.4 p 179.97 169.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 45' ' ' ILE . 5.2 mp -122.31 138.32 52.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 29.9 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -120.96 162.03 37.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.67 14.38 36.66 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -53.81 -30.95 47.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.604 0.826 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER 82.89 49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 83' ' ' LEU . 3.3 tm? -86.05 83.33 7.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.28 4.64 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.3 pt20 -135.68 142.56 45.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.587 HG12 ' N ' ' A' ' 55' ' ' ASN . 75.7 t -138.18 148.82 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.587 ' N ' HG12 ' A' ' 54' ' ' VAL . 8.7 p30 42.64 -139.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -82.35 6.79 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.81 150.33 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -146.83 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 24.0 m-85 -79.09 50.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.18 -45.02 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -0.95 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -86.11 -73.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.944 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.543 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.4 t 28.33 46.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.4 t30 -91.59 26.78 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t0 39.88 30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' ASN . 25.0 m-20 -163.92 30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -15.04 21.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.441 ' C ' ' N ' ' A' ' 70' ' ' VAL . 3.0 t -59.71 -42.84 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -26.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -107.52 -44.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -50.38 -41.57 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.2 ttt180 -64.14 -17.62 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -80.33 -20.09 45.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.92 -92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' CG1' HD13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.88 -38.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 4.1 t -51.24 -59.37 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -135.73 -118.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -51.6 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.03 115.09 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.76 31.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.5 mt -75.64 145.6 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 157.05 52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -35.71 145.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.486 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 76.0 m -141.26 139.94 33.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.409 HG12 ' C ' ' A' ' 84' ' ' THR . 2.3 m -138.21 156.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.218 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 p -160.19 154.92 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.66 172.82 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 13.0 p -163.79 172.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 50.5 mm -53.04 139.01 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.679 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 24.7 p90 -131.11 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.3 tp -50.09 127.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.19 94.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -178.88 157.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.86 121.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 16.4 mm . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -121.65 163.22 32.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.08 -37.34 2.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 21.59 11.3 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' MET . 9.0 t70 -63.31 -27.89 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 81.59 52.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.6 86.82 6.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.97 4.19 5.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.38 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -135.41 154.08 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 12.8 t -140.12 150.97 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 16.6 t30 42.08 -140.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -81.04 6.57 13.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.94 155.15 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -147.92 89.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.623 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 15.6 m-85 -79.5 51.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.82 -55.08 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.19 -14.85 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 1.2 tpp -67.07 -73.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.4 t 24.55 51.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 66' ' ' ASP . 7.6 t30 -92.03 25.88 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.53 29.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' ASN . 5.7 p30 -170.57 32.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.71 26.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.6 t -57.46 -42.21 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -43.42 -25.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -109.47 -44.81 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -41.57 59.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.8 OUTLIER -65.59 -17.92 64.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -80.89 -20.05 43.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.5 mm -65.03 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.476 HG12 ' CG1' ' A' ' 81' ' ' ILE . 3.3 m -38.22 -43.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -47.3 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.9 mt-30 -132.29 -118.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 77' ' ' GLN . 63.5 p -52.12 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.37 117.88 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 147.35 33.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.4 mt -78.1 145.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.82 45.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.932 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -31.36 144.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.473 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 51.5 m -136.53 144.77 44.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 84' ' ' THR . 12.6 m -136.77 153.89 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 95.3 t . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.445 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -163.06 165.41 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.069 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' CG2' ' A' ' 28' ' ' ILE . 1.5 pp -115.68 169.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 29' ' ' TYR . 13.8 p -157.23 171.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' CA ' HD12 ' A' ' 28' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 21.2 mm -50.96 137.59 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' HG13 ' A' ' 17' ' ' VAL . 1.3 p90 -126.49 163.41 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.5 tp -55.45 124.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.496 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.75 -48.56 76.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.96 158.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 1.4 mp -107.84 119.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.4 mt-10 -126.39 162.36 46.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.82 2.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.21 11.11 38.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -48.7 -33.5 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.57 48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tm? -81.54 88.65 6.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.7 5.88 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 84' ' ' THR . 3.9 pt20 -137.77 144.56 41.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' O ' ' C ' ' A' ' 55' ' ' ASN . 73.4 t -142.02 151.28 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 54' ' ' VAL . 15.9 p-10 33.92 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.95 8.97 7.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.4 155.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -145.2 88.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.503 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 18.1 m-85 -80.0 54.51 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.55 -69.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -24.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.485 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 tpp -64.04 -85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 63' ' ' SER . 3.5 t 35.83 49.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.73 155.54 16.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 2.4 t0 -75.63 54.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 2.7 p30 156.21 43.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.56 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -58.35 -39.27 73.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -44.5 -23.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.68 -49.79 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -49.09 -43.55 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.75 -20.26 63.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.22 -21.53 56.31 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -66.46 -92.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.459 HG13 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.64 -37.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 11.4 t -55.59 -66.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.2 mt-30 -131.04 -131.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 41.4 p -41.7 158.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 110.436 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.71 117.04 3.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 149.94 37.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.9 mt -81.97 145.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.4 50.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.965 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -37.13 145.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 88.1 m -146.1 143.26 29.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 13.0 m -130.8 155.46 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.5 156.55 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.951 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.43 HG22 ' CG2' ' A' ' 68' ' ' VAL . 1.1 pp -110.4 173.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 29' ' ' TYR . 9.0 p -161.36 175.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 43.8 mm -44.92 139.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE2' HG12 ' A' ' 17' ' ' VAL . 3.8 p90 -135.16 152.05 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.7 tp -49.85 124.89 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.34 -46.13 93.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -177.08 164.87 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.1 mp -118.48 120.77 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 43.4 mm . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 1.7 mt-10 -120.28 163.85 26.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.497 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.0 -37.77 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 33.14 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -75.77 -29.05 58.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 83.37 45.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 51' ' ' LEU . 3.4 tm? -86.45 87.48 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.357 1.036 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.39 9.03 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.3 pt20 -137.19 152.0 49.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 53' ' ' GLN . 25.5 t -141.07 155.05 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 39.84 -142.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.19 7.09 10.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.559 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -88.1 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.71 90.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 24.9 m-85 -75.93 51.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.66 -61.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.92 -18.01 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.602 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.46 -74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 27.79 53.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' ASP . 6.5 t-20 -91.6 26.01 2.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 65.5 t0 42.44 28.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASN . 45.4 m-20 -167.44 31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.76 -14.77 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.43 ' CG2' HG22 ' A' ' 16' ' ' ILE . 2.6 t -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -22.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -109.46 -45.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -41.71 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.9 OUTLIER -65.39 -19.16 65.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.26 -18.68 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.13 -93.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.25 -38.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.8 t -52.26 -58.51 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.6 mt-30 -134.43 -119.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' GLN . 15.1 p -51.37 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.19 119.37 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.1 mt -75.71 143.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.45 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -32.79 147.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 53.7 m -139.77 144.96 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' MET . 13.6 m -135.8 152.45 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -157.81 162.83 38.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 pp -124.7 171.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 7.1 p -161.36 169.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 44.9 mm -52.12 138.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.583 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 23.5 p90 -131.23 144.24 51.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 6.1 tp -46.51 126.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 109.223 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.08 94.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -178.6 159.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 45' ' ' ILE . 2.0 mp -111.48 122.19 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.6 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.2 mt-10 -126.27 162.33 46.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.502 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.04 -39.66 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.43 35.41 3.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 50' ' ' MET . 42.3 t0 -80.33 -25.96 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.59 53.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.87 90.34 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -133.46 9.1 3.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 3.9 pt20 -135.59 152.76 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' ASN . 78.7 t -137.04 155.37 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' VAL . 23.8 t30 36.08 -140.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.24 5.04 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -84.83 156.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -152.1 89.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.638 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.7 m-85 -77.96 51.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -66.15 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -51.17 -22.38 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.638 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.93 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.3 t 34.15 49.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.9 t30 -90.4 28.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 39.68 29.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 64' ' ' ASN . 6.6 p30 -162.92 28.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.95 -14.5 23.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.6 t -59.98 -41.63 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -25.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -109.08 -44.26 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -52.45 -40.85 62.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.3 ttp180 -65.89 -17.81 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -21.27 44.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -68.15 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.11 -39.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.7 t -52.61 -64.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.7 mt-30 -132.81 -129.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 69.0 p -43.0 166.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.19 120.42 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.432 1.083 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.08 30.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.7 mt -78.59 146.83 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.5 49.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 82' ' ' SER . 6.3 mt -35.69 152.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.467 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 52.1 m -141.16 144.23 34.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.414 HG13 ' C ' ' A' ' 84' ' ' THR . 4.0 m -133.18 152.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.477 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -171.82 159.91 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 28' ' ' ILE . 1.2 pp -112.17 173.58 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.578 HG11 ' CE2' ' A' ' 29' ' ' TYR . 7.4 p -160.51 168.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.41 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 44.3 mm -53.61 137.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' CE2' HG11 ' A' ' 17' ' ' VAL . 8.8 p90 -127.2 158.55 36.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.8 tp -54.47 126.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -63.7 -43.87 97.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m 179.84 157.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 45' ' ' ILE . 4.4 mp -125.4 129.2 72.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 33' ' ' ILE . 16.5 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.4 mt-10 -127.16 162.34 48.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.66 23.0 9.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -65.51 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 83.37 48.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.43 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm? -85.2 81.09 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.72 7.75 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.2 pt20 -136.51 148.71 47.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' ASN . 24.1 t -140.46 150.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.5 t-20 35.49 -139.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.67 4.89 14.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.13 157.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.407 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 8.1 m120 -151.34 89.88 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 21.2 m-85 -82.98 54.54 2.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.84 -52.44 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -11.21 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.556 ' HE3' ' CD1' ' A' ' 59' ' ' PHE . 1.7 tpp -73.1 -83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.4 t 30.22 42.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' MET . 39.7 t30 -65.98 -66.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 8.7 t0 166.09 -37.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.33 46.78 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.09 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.447 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.1 t -51.23 -41.16 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -43.5 -24.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -106.61 -48.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -41.52 47.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 3.7 tpt180 -64.68 -18.97 65.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -79.06 -21.32 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' VAL . 3.2 mm -63.34 -92.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.76 -39.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 8.1 t -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.0 mt-30 -126.37 -116.52 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 77' ' ' GLN . 73.5 p -50.62 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.65 115.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.68 34.22 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' SER . 4.9 mt -73.49 144.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 4.6 t 155.69 44.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' GLN . 54.8 m -140.87 146.93 38.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 19.1 m -133.48 153.38 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.358 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -161.18 158.61 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pp -110.43 174.51 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 9.7 p -159.25 170.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 47.8 mm -50.35 139.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 3.7 p90 -134.01 160.52 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.6 tp -54.55 121.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.36 -49.6 63.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p 179.92 170.77 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 110.057 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 34' ' ' MET . 4.8 mp -126.84 138.09 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.416 ' N ' HG22 ' A' ' 33' ' ' ILE . 16.6 mtm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 10.5 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mt-10 -126.69 162.55 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.96 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 50' ' ' MET . 17.0 t70 -54.09 -30.38 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 0.779 . . . . 0.0 109.306 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER 82.33 50.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' A' ' 83' ' ' LEU . 1.3 tm? -89.34 82.7 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' CD2' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -124.9 1.76 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.8 pt20 -135.88 154.25 51.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 14.5 t -140.39 151.16 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.599 ' ND2' ' HG ' ' A' ' 82' ' ' SER . 5.5 t-20 38.89 -140.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 0.38 21.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.21 147.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 57' ' ' VAL . 79.7 m-20 -145.88 89.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 21.4 m-85 -78.15 46.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -57.13 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 m-20 -39.94 -44.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.535 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -46.9 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.52 ' O ' ' OG ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 45.47 23.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 62' ' ' MET . 3.9 t-20 -50.79 163.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 33.5 t70 -83.8 44.92 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 160.45 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.75 -14.64 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -60.39 -40.27 83.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.69 -49.75 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -42.92 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.45 -21.87 64.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -74.84 -19.52 60.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -69.27 -91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.86 -37.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -53.23 -57.93 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.9 mt-30 -137.02 -123.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 77' ' ' GLN . 72.7 p -46.52 174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.25 121.36 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.47 42.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.596 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.6 mt -85.71 146.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.599 ' HG ' ' ND2' ' A' ' 55' ' ' ASN . 2.5 p 151.82 45.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -31.72 144.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.467 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 85.3 m -130.76 142.3 50.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.404 HG11 ' C ' ' A' ' 84' ' ' THR . 12.8 m -136.23 154.93 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.506 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -157.45 156.17 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.942 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.89 174.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 8.5 p -169.66 174.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 35.3 mm -60.9 131.62 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.582 ' CZ ' ' O ' ' A' ' 27' ' ' GLY . 17.7 m-85 -124.04 143.62 50.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.7 tp -52.12 120.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.09 35.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.7 p -179.83 168.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.786 . . . . 0.0 109.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 33' ' ' ILE . 1.8 mp -113.44 122.15 67.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 7.7 mm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 1.7 mt-10 -123.04 165.24 22.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -31.47 6.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.17 17.85 35.46 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.38 -32.34 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.73 48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 83' ' ' LEU . 1.5 tm? -87.3 77.25 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -120.54 -0.08 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.7 pt20 -134.95 155.08 51.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 18.7 t -140.32 153.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.4 t-20 37.77 -140.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 2.39 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.569 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.4 153.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -151.66 89.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 23.1 m-85 -80.2 48.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.04 -68.68 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.38 -31.03 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.645 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -57.83 -81.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 32.58 53.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ASP . 16.3 t30 -91.63 26.49 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 t0 45.52 26.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.082 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.4 p30 -164.31 29.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.61 5.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -54.1 -42.52 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -25.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.59 -47.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.34 -43.67 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.46 63.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -77.21 -19.53 56.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.215 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.6 mm -67.89 -91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.65 -37.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.4 -61.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.39 -130.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 77.5 p -43.21 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.49 115.56 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.69 32.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.9 mt -78.24 146.76 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.6 m 154.14 47.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -30.09 142.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.465 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 87.1 m -132.03 141.52 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.404 HG13 ' C ' ' A' ' 84' ' ' THR . 5.3 m -137.32 155.13 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.54 157.72 30.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 28' ' ' ILE . 1.1 pp -112.04 175.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 14.6 p -166.85 172.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.24 134.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.256 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 11.5 p90 -127.2 159.15 35.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.486 1.116 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.8 tp -55.29 123.93 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -59.96 -43.69 97.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 180.0 160.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 45' ' ' ILE . 4.3 mp -123.52 121.02 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 33' ' ' ILE . 31.5 mm . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.1 mt-10 -133.8 161.51 63.3 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.01 -34.42 3.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.78 19.6 19.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -60.87 -29.89 69.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.32 48.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 1.3 tm? -89.27 84.52 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.01 0.49 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.7 pt20 -131.6 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 9.8 t -139.97 150.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.5 t-20 34.7 -137.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -80.86 4.14 20.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 1.8 t -80.11 160.17 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 35.9 m120 -155.56 94.44 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CZ ' ' CG1' ' A' ' 70' ' ' VAL . 21.4 m-85 -81.23 22.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -53.58 152.36 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.3 t-20 77.89 -50.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -35.82 -64.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 27.25 54.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.9 12.33 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.92 20.72 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -164.1 29.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -14.71 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.1 t -55.73 -41.26 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -25.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.41 -47.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -43.18 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.8 tpt180 -63.12 -19.02 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -78.78 -20.56 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.2 mm -65.76 -92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.485 HG11 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.54 -38.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.9 t -51.97 -62.56 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -130.71 -116.74 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.4 p -52.58 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.93 115.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.59 35.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.1 mt -76.48 146.25 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 3.5 t 155.32 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -33.44 145.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 91.0 m -140.02 143.29 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 14.9 m -134.88 153.94 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.268 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 23.2 p -159.8 152.26 21.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.419 HD12 ' CA ' ' A' ' 66' ' ' ASP . 1.1 pt -110.01 176.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.506 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 9.1 p -167.06 170.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.439 1.087 . . . . 0.0 111.09 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 65' ' ' ASP . 47.5 mm -51.51 140.38 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 19.4 p90 -131.38 142.89 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.2 tp -48.27 123.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.37 -43.4 95.74 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 p -179.0 151.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 1.8 mp -114.3 123.16 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.5 mm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.51 164.62 35.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.0 Cg_endo -75.06 -34.79 3.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.77 22.93 15.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -64.99 -26.06 68.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER 85.71 54.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 85' ' ' VAL . 1.5 tm? -88.35 78.67 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.24 0.8 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 84' ' ' THR . 3.2 pt20 -138.16 152.22 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 42.1 t -140.32 157.38 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.0 t-20 39.17 -141.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 7.93 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.44 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.55 159.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 76.9 m-20 -156.19 90.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.592 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.4 m-85 -77.32 52.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.3 mm-40 -65.63 -65.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -17.95 7.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.592 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -70.62 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 26.46 52.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.957 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -91.31 28.76 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 41.09 28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 64' ' ' ASN . 23.8 m-20 -166.95 30.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -14.75 25.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.4 t -57.88 -38.9 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -22.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -110.38 -46.91 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -41.89 48.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -64.12 -19.61 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.21 -19.53 53.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.59 -92.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.29 -38.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.2 t -52.05 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -133.67 -118.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.223 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 50.7 p -52.06 -173.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.6 118.22 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.57 35.33 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.0 mt -77.17 146.46 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.4 m 153.36 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -31.12 144.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 53' ' ' GLN . 50.5 m -130.24 148.81 52.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' CG1' HD21 ' A' ' 51' ' ' LEU . 3.0 m -144.58 155.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.5 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.444 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.28 152.37 30.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pt -107.42 177.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG12 ' CZ ' ' A' ' 29' ' ' TYR . 8.2 p -173.36 175.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mm -53.96 136.59 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 2.1 p90 -137.07 158.94 43.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.3 tp -54.8 119.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.88 -43.97 96.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.6 p 179.96 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.553 ' CD1' ' CG2' ' A' ' 45' ' ' ILE . 4.7 mp -130.41 127.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 mmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.553 ' CG2' ' CD1' ' A' ' 33' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.3 mt-10 -142.91 160.35 53.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.53 31.78 3.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -76.59 -30.83 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.79 47.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 3.2 tm? -85.88 81.93 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.46 1.66 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.6 pt20 -134.25 151.57 51.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 7.5 t -139.9 152.37 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.1 t-20 36.14 -139.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -80.11 4.34 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.01 160.43 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 84.6 m-20 -156.11 92.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.562 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 21.9 m-85 -81.46 38.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 2.5 mm-40 -69.02 147.98 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER 81.27 -44.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.589 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -38.81 -61.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 22.66 58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ASP . 9.5 t-20 -88.73 22.48 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 48.32 24.23 0.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.1 p30 -173.0 34.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.6 -17.29 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -57.07 -38.14 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -23.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -104.85 -49.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -43.45 40.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -61.6 -20.83 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -76.18 -20.61 57.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.51 -92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.44 -38.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.6 t -52.55 -60.6 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -132.14 -119.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 16.4 p -52.09 -173.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.82 114.63 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.84 39.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.4 mt -77.97 147.22 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.5 m 155.91 50.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.017 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -32.61 141.8 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 98.0 m -137.46 138.91 40.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -133.23 151.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -158.44 164.61 36.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pt -109.04 179.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 29' ' ' TYR . 7.0 p -172.52 174.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 26.4 mm -45.51 139.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 17' ' ' VAL . 2.8 p90 -128.46 167.62 16.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.0 tp -58.47 121.83 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.493 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.25 -45.03 89.09 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.403 1.064 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -179.58 166.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 45' ' ' ILE . 3.7 mp -128.11 122.09 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 31.0 mm . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.6 mt-10 -133.55 165.57 35.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.64 16.73 18.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' MET . 32.4 t70 -58.65 -31.24 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.03 52.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.9 tm? -89.66 82.21 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.19 1.22 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.0 pt20 -137.26 151.12 48.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 55' ' ' ASN . 17.9 t -140.79 151.51 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.7 t-20 34.4 -138.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 4.37 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.529 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.0 t -80.26 159.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 25.8 p-10 -154.97 94.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.529 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 23.4 m-85 -80.29 22.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -55.05 150.24 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 80.34 -46.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -40.02 -64.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.55 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.6 t 27.05 47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 28.7 t30 -84.59 10.11 11.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.15 21.05 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.74 24.46 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.91 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.1 t -52.32 -43.8 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -26.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -104.9 -48.3 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -43.66 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -63.81 -19.14 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -78.74 -21.07 48.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.2 mm -65.59 -91.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.09 -38.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.6 t -51.79 -64.11 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.2 mt-30 -130.45 -118.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 68.9 p -50.11 -177.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.71 114.04 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 147.06 33.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.9 mt -75.94 143.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER 160.22 49.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -31.09 140.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' GLN . 93.0 m -134.19 136.92 44.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 20.8 m -136.09 155.28 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.814 ' N ' ' H ' ' A' ' 85' ' ' VAL . 4.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' LEU . 91.0 t -143.69 135.22 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -106.11 96.67 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.6 mt -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -134.12 109.14 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.5 mtt 60.55 125.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' CB ' HD13 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -158.26 -47.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' CG ' HD11 ' A' ' 81' ' ' ILE . 12.0 mtm105 -40.29 140.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t60 78.83 -60.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -48.35 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.617 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.92 154.5 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 138.83 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 34' ' ' MET . . . -120.99 83.31 0.36 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -119.46 171.84 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -156.33 155.95 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 HD12 ' CA ' ' A' ' 66' ' ' ASP . 1.6 pp -120.17 169.55 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.569 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 5.2 p -157.97 168.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . -136.61 -167.54 11.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -164.44 -64.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.275 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER 164.82 140.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 2.4 p30 -102.54 142.96 32.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -175.12 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.7 ttt180 -162.14 115.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . 36.23 61.9 0.78 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 162.51 122.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 20' ' ' SER . . . 149.86 -42.33 0.79 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.35 119.17 4.57 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.472 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 46.0 mm -46.55 139.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 28.4 p90 -133.85 143.04 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.498 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.7 tp -45.31 124.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -59.3 -43.18 97.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.6 p -179.99 163.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.458 ' CD1' HG23 ' A' ' 45' ' ' ILE . 2.7 mp -112.69 123.05 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 3.7 mmt -41.93 -26.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' C ' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER 62.25 20.38 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' ALA . . . -63.57 -114.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.8 -6.07 6.14 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.21 -88.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG1' HG13 ' A' ' 45' ' ' ILE . 15.2 t -68.58 -16.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' C ' ' A' ' 35' ' ' LYS . . . -72.2 -47.6 49.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.3 -26.73 63.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.9 -48.59 81.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.32 -130.91 2.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' ILE . 24.5 mtp180 -121.8 55.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.475 HG13 ' CG1' ' A' ' 39' ' ' VAL . 36.1 mm -41.85 163.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.1 mt-10 -127.76 161.48 55.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.498 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.49 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.93 17.56 21.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' ' 50' ' ' MET . 22.7 t0 -59.03 -29.64 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 79.56 48.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.7 tm? -89.53 87.94 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.49 5.96 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 5.6 pt20 -134.26 154.73 51.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 5.4 t -140.28 152.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.5 t-20 39.84 -141.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.03 2.38 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -84.17 153.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -150.88 90.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 23.1 m-85 -76.59 52.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.98 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.06 -25.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.555 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -61.92 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t 36.6 54.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.7 t30 -91.69 22.11 4.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 46.04 25.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.466 ' CA ' HD12 ' A' ' 16' ' ' ILE . 52.7 m-20 -162.87 29.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.03 -16.94 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.428 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.4 t -57.21 -41.04 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.16 -24.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -110.1 -46.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.02 -42.56 49.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -19.03 65.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.36 -19.19 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -68.92 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.35 -37.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 t -55.85 -62.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.5 mt-30 -133.16 -134.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 33.4 p -41.06 160.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.8 121.88 5.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.49 32.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.3 mt -83.0 144.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.85 45.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -32.34 146.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m -141.91 149.94 40.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.814 ' H ' ' N ' ' A' ' 1' ' ' THR . 11.8 m -134.55 154.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.75 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 54.22 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.5 118.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.518 ' CD2' ' O ' ' A' ' 89' ' ' TRP . 49.2 p-90 -43.11 101.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -133.82 149.96 73.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.9 m -130.09 85.12 58.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 94' ' ' ARG . 18.1 Cg_endo -75.06 75.21 3.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER 28.26 52.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.8 126.35 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.7 m -99.93 95.24 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD11 ' CG2' ' A' ' 39' ' ' VAL . 5.3 mt -60.3 177.54 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -97.81 159.46 14.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.1 ttp 60.88 170.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -138.43 167.19 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 43.86 94.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.11 105.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -84.89 114.82 22.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -157.6 156.14 31.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 73.51 147.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 117.27 5.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -117.35 171.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -163.41 154.57 16.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.09 173.32 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 7.8 p -169.73 174.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.05 -162.34 9.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.85 -55.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 m 44.72 89.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.08 -58.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.46 164.72 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -54.86 129.56 37.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.69 -153.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.3 t70 45.44 90.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -120.43 167.18 13.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.14 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.05 97.9 0.17 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.496 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.44 138.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.633 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 26.1 p90 -130.88 142.98 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 6.0 tp -46.53 128.97 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.74 97.23 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.93 161.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' HG21 ' A' ' 45' ' ' ILE . 4.7 mp -129.31 135.13 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.8 mmt -57.44 83.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -39.28 144.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.439 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . 56.99 65.99 3.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.47 -125.7 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.34 -74.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.208 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 45' ' ' ILE . 28.9 t -79.9 -22.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 34' ' ' MET . . . -70.14 -46.86 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.0 -13.33 60.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -61.66 -53.07 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -162.73 47.28 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 1.2 mtp180 35.33 54.55 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 0.772 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 23.6 mm -43.3 164.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -134.77 170.44 11.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.03 -39.55 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -83.87 34.69 2.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -81.57 -28.69 33.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER 80.78 50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 2.2 tm? -94.3 83.55 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.46 3.99 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.8 pt20 -132.64 149.03 52.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ASN . 25.0 t -133.51 153.37 36.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.0 t-20 38.52 -141.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 5.87 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.92 152.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.429 ' N ' HG13 ' A' ' 57' ' ' VAL . 74.3 m-80 -147.74 89.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 22.4 m-85 -76.13 52.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.01 -75.48 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -44.52 -28.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.568 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -56.69 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 33.64 49.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -91.56 28.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' ASN . 16.2 t0 38.85 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' N ' ' C ' ' A' ' 64' ' ' ASN . 36.8 m-20 -166.62 31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -14.87 23.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.5 t -58.81 -41.89 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.16 -24.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.9 OUTLIER -109.14 -46.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.78 -40.72 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 19.2 ttt85 -66.0 -18.46 65.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.95 -19.78 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.429 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.1 mm -66.71 -92.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.58 -38.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.4 t -51.79 -60.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.22 -118.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' GLN . 64.5 p -52.4 -173.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.47 115.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.97 32.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.581 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.4 mt -73.12 147.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.91 51.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 82' ' ' SER . 6.7 mt -35.37 152.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.476 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 54.4 m -142.5 140.36 31.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG13 ' C ' ' A' ' 84' ' ' THR . 10.4 m -137.28 153.69 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -107.96 38.31 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 53.17 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.9 107.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -59.38 95.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 107.992 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.94 133.92 21.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.93 56.0 4.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.48 ' C ' ' O ' ' A' ' 91' ' ' PRO . 10.0 t 32.21 75.48 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 177.63 8.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -74.56 167.27 22.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.44 ' N ' HG21 ' A' ' 85' ' ' VAL . 5.1 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.7 t -45.68 130.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m -130.21 106.71 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.53 171.37 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.62 163.0 14.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.58 177.56 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.76 -54.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 62.67 86.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -121.63 -177.86 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.534 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -92.37 -63.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -44.81 150.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 HD21 ' CG1' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -179.09 -74.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.0 63.57 2.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.545 1.153 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' CG1' HD21 ' A' ' 12' ' ' LEU . 1.9 pp -119.1 171.6 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.439 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -167.5 164.23 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' CG2' ' A' ' 68' ' ' VAL . 1.4 pp -121.18 170.74 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 11.6 p -165.51 173.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.77 -164.55 10.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.27 48.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -68.54 94.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -105.75 -54.97 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -100.43 169.61 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -47.16 139.35 6.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.15 -153.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.98 93.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . -132.45 -52.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 37.2 83.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -44.99 136.82 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.778 . . . . 0.0 109.253 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 26' ' ' GLY . 6.8 m-85 -121.87 148.07 45.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.7 tp -51.75 126.81 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.25 -49.29 69.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.4 ' C ' ' CD1' ' A' ' 33' ' ' ILE . 89.4 p 180.0 166.78 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CG2' ' CB ' ' A' ' 40' ' ' ALA . 2.7 mp -127.51 128.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.425 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.7 tttm 74.95 23.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.79 86.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -174.51 -122.57 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.4 -84.83 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' HG13 ' A' ' 45' ' ' ILE . 2.3 t -70.84 -24.66 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 33' ' ' ILE . . . -62.79 -49.69 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.58 -15.14 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 15.0 t70 -57.28 -52.06 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.29 47.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 38.59 63.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.498 HG13 ' CG1' ' A' ' 39' ' ' VAL . 13.5 mm -44.44 165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 1.6 mt-10 -112.86 166.2 11.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.49 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -37.93 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -87.38 19.73 30.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 50' ' ' MET . 21.5 t70 -62.59 -24.86 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 78.0 49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.6 tm? -91.94 85.94 5.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.03 4.33 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -134.82 153.73 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 55' ' ' ASN . 69.2 t -138.54 155.7 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' VAL . 36.0 t30 37.68 -138.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -84.31 9.66 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 t -89.69 158.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 42.3 m-20 -150.46 88.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.521 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 24.6 m-85 -77.21 53.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.56 -55.75 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -14.83 27.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.521 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 2.5 tpp -73.19 -83.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.3 t 34.63 57.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.7 13.67 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.22 17.43 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -166.24 30.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 -18.01 9.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 16' ' ' ILE . 2.1 t -53.24 -40.9 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -24.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 110.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -107.81 -48.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.82 -42.47 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -63.45 -19.13 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -78.43 -20.92 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.6 mm -66.86 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.26 -37.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -55.35 -63.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.5 OUTLIER -131.81 -132.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 40.8 p -41.4 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.33 121.56 4.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.73 31.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.799 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.5 mt -80.89 146.53 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.15 48.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' SER . 6.2 mt -35.65 151.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.483 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 31.7 m -140.72 143.49 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 21.9 m -136.11 153.06 31.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.541 1.15 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -91.25 40.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.17 172.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -179.16 114.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -42.66 105.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.39 118.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 9.0 t -131.86 141.84 43.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.98 96.88 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.1 OUTLIER 37.0 61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 84' ' ' THR . 3.7 t . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.8 t -142.71 150.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.1 m -115.1 97.9 6.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 39' ' ' VAL . 4.0 mt -57.36 178.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -44.68 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 3.1 mtp 164.48 -49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' MET . 4.3 tt0 -37.88 151.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.468 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 9.6 mtm180 -101.91 78.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 36.0 m80 -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.662 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -65.47 1.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 1.054 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 10.8 p90 -45.86 144.12 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.204 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' CD2' HG23 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -176.51 -51.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.58 73.84 0.91 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.426 HG23 ' CD2' ' A' ' 12' ' ' LEU . 1.1 pt -124.54 173.88 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.226 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -164.78 156.01 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pp -116.2 174.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 14.2 p -167.38 172.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 -162.09 9.06 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.94 -65.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.2 m 66.75 89.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -107.66 -56.55 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.66 154.27 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' GLY . 63.2 mtt180 -41.51 117.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.63 91.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.27 120.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.16 75.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.26 106.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 50.1 mm -49.32 138.47 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.465 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 5.8 p90 -132.39 143.59 49.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.9 tp -47.19 122.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.83 -43.93 87.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 p -179.97 169.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 45' ' ' ILE . 5.4 mp -124.22 134.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.3 mmm -38.13 -29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 72.04 157.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.391 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' N ' ' HB2' ' A' ' 40' ' ' ALA . . . 35.81 58.9 0.93 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.11 -125.28 2.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.03 -80.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG1' HG13 ' A' ' 45' ' ' ILE . 1.7 t -70.35 -22.07 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' HB2' ' N ' ' A' ' 36' ' ' GLY . . . -65.47 -49.93 67.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.81 -12.79 61.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.35 -54.2 48.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -168.87 50.48 0.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 43' ' ' GLY . 6.6 ptp85 31.84 59.67 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.811 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG13 ' CG1' ' A' ' 39' ' ' VAL . 37.3 mm -40.55 161.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 45' ' ' ILE . 2.1 mt-10 -117.96 163.85 22.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.94 15.12 33.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -54.39 -31.23 54.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.374 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.05 46.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 1.6 tm? -86.34 81.48 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.41 1.67 7.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG3' ' C ' ' A' ' 84' ' ' THR . 1.2 pt20 -132.57 153.44 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 55' ' ' ASN . 14.4 t -139.32 153.94 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.5 t-20 38.1 -141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.83 2.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.9 153.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -151.72 89.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 26.7 m-85 -77.39 51.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.2 mm-40 -65.18 -75.75 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.71 -29.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.573 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.05 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 35.43 49.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' N ' ' A' ' 66' ' ' ASP . 8.5 t30 -91.15 29.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 t0 39.77 29.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 64' ' ' ASN . 34.3 m-20 -163.21 28.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -15.09 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.6 t -60.01 -41.79 87.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -25.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -108.89 -46.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.58 -42.53 44.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.12 -20.18 63.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -76.74 -22.81 53.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.7 mm -66.71 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.74 -38.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -53.26 -62.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.3 mt-30 -137.9 -129.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 81.7 p -40.27 160.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.29 118.72 4.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 145.97 32.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.6 mt -79.65 145.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 155.2 46.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.412 1.07 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -32.05 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.529 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 53.5 m -136.2 147.69 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.428 HG11 ' C ' ' A' ' 84' ' ' THR . 1.2 m -142.17 155.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.6 1.188 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -91.86 34.09 1.01 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 52.75 173.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.91 82.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.42 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 6.1 t90 81.0 84.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -39.64 100.19 0.21 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' TRP . 18.1 Cg_endo -75.03 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 t -51.27 145.77 12.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.406 1.066 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.8 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 172.12 13.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.4 ' HB ' ' CG2' ' A' ' 84' ' ' THR . 1.7 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -152.57 138.81 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 5' ' ' ASN . 25.6 m -97.91 96.34 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 mt -58.71 85.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 3' ' ' THR . 4.0 t-20 53.44 175.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 177.93 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.05 169.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 1.074 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -137.93 102.43 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 10' ' ' HIS . 3.7 t-160 175.78 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER 168.65 143.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.628 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -87.72 161.57 17.54 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.64 126.22 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 83.32 1.6 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -119.38 170.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.92 154.45 32.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -113.86 172.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.639 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 14.6 p -163.32 173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' H ' ' CG2' ' A' ' 17' ' ' VAL . . . -135.55 -164.97 10.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 172.75 -53.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m 74.72 -64.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 40.61 49.91 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -176.94 167.44 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -64.55 90.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.44 91.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.6 t0 163.35 123.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.544 0.791 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.39 -163.46 28.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.46 111.62 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 43.0 mm -47.35 140.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.639 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 15.4 p90 -132.02 151.3 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.4 tp -52.64 120.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.99 -45.24 72.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m 179.98 166.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 0.723 . . . . 0.0 109.981 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CD1' HG23 ' A' ' 45' ' ' ILE . 2.7 mp -113.71 123.99 69.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -28.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' ILE . 7.1 tttt 65.44 22.56 11.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.404 ' O ' ' HB1' ' A' ' 40' ' ' ALA . . . -66.6 -114.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.7 -3.52 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.39 -86.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 45' ' ' ILE . 84.1 t -70.46 -16.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.632 1.207 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 36' ' ' GLY . . . -72.56 -47.57 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.36 -25.47 64.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -48.15 82.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.52 -129.12 1.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' ILE . 4.9 mtt85 -122.47 56.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.748 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.476 HG13 ' CG1' ' A' ' 39' ' ' VAL . 19.4 mm -42.76 164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.9 mt-10 -129.76 161.39 59.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.96 -34.68 3.68 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.51 18.43 14.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.8 OUTLIER -57.5 -30.96 65.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 0.816 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 3.0 tpp 85.62 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 83' ' ' LEU . 2.4 tm? -88.57 83.55 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.25 1.49 5.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 84' ' ' THR . 3.6 pt20 -137.49 153.64 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 13.8 t -139.75 153.01 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.3 t-20 37.86 -140.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.73 0.9 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.576 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.73 150.09 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -150.09 88.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.646 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.0 m-85 -80.19 50.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' C ' ' N ' ' A' ' 62' ' ' MET . 1.3 mt-10 -62.08 -74.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.33 -28.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.646 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.13 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.0 t 31.0 52.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -90.95 27.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 41.0 29.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 64' ' ' ASN . 7.6 p30 -166.79 30.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.168 . . . . 0.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -14.65 22.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.2 t -56.14 -42.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -42.91 -25.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.46 -47.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.45 -43.41 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -62.5 -18.93 62.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 pt-20 -78.81 -21.82 47.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.233 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.41 -91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.11 -38.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.4 t -51.74 -61.64 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -133.11 -121.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLN . 23.5 p -49.87 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.13 117.77 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.562 1.164 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 148.26 35.17 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.55 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.8 mt -78.66 144.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER 155.6 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -30.42 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' GLN . 85.3 m -133.64 143.25 48.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.073 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 84' ' ' THR . 16.8 m -138.34 155.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 37.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.82 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 172.07 83.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 75.65 63.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.81 104.68 0.35 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 1.1 m -39.47 139.73 0.84 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 94' ' ' ARG . 18.3 Cg_endo -74.99 56.1 4.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PRO . 12.4 ptt180 36.41 51.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.9 t -144.0 150.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 m -114.3 96.87 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.45 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 mt -63.96 179.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.95 102.65 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.0 mtm -179.59 160.02 0.92 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.12 177.84 5.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -42.91 -60.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m80 54.94 176.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.569 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -133.92 -62.92 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.701 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.86 131.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.39 113.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.54 80.61 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -118.67 169.29 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.39 165.59 36.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.444 HD11 ' CA ' ' A' ' 66' ' ' ASP . 1.3 pp -129.22 176.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.516 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 4.2 p -167.84 168.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . -135.46 -163.42 10.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -156.7 -57.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m 45.18 70.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.954 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -99.65 -51.48 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.35 169.45 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -39.79 106.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.221 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.18 -143.66 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 52.77 92.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.36 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.28 127.38 5.86 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.35 85.29 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.401 ' CG2' ' HB ' ' A' ' 16' ' ' ILE . 36.4 mm -46.07 137.86 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 21.1 p90 -132.31 142.99 49.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.9 tp -43.56 123.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -46.31 92.26 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.92 169.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 45' ' ' ILE . 4.4 mp -126.42 129.07 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -84.92 31.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' C ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 36.12 44.34 0.26 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 40' ' ' ALA . . . -59.78 -128.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.47 -13.17 4.37 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.95 -77.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.254 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.489 ' CG1' HG13 ' A' ' 45' ' ' ILE . 5.0 t -66.47 -22.81 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLY . . . -71.96 -46.13 58.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.69 19.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.17 -54.14 29.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.67 -123.72 1.23 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -113.55 54.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.489 HG13 ' CG1' ' A' ' 39' ' ' VAL . 18.4 mm -41.35 163.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -127.44 162.48 48.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -40.04 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.808 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -84.74 36.75 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.6 t0 -81.95 -24.09 35.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 77.24 50.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 2.0 tm? -92.31 84.97 5.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.56 5.43 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.462 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 5.5 pt20 -134.28 153.1 52.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 55' ' ' ASN . 14.3 t -139.45 154.82 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 54' ' ' VAL . 14.9 t30 38.29 -142.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.407 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -77.23 2.19 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.18 154.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' HG12 ' A' ' 57' ' ' VAL . 15.2 m120 -154.57 90.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 22.5 m-85 -78.69 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.4 mm-40 -64.93 -74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.7 -27.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.49 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -60.85 -84.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 34.98 57.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.99 9.93 18.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.9 t0 64.32 19.6 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' CA ' HD11 ' A' ' 16' ' ' ILE . 16.8 p30 -162.33 29.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.82 -18.25 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.422 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -55.05 -39.68 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.86 -24.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -107.65 -47.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.68 -43.77 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.8 ttp180 -61.38 -20.83 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.382 1.051 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -76.74 -20.57 56.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.58 -92.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.85 -38.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.9 t -53.54 -60.94 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.0 mt-30 -130.42 -121.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' GLN . 31.9 p -51.43 -174.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.348 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.12 116.84 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.24 37.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.6 mt -77.77 144.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 158.54 49.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -32.34 145.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.462 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 56.1 m -138.36 142.92 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -136.54 153.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' CB ' ' SD ' ' A' ' 50' ' ' MET . . . -101.66 41.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 53.22 172.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -179.61 57.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -177.16 -175.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 107.947 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -121.0 95.04 49.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 15.1 t -153.53 144.87 16.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -75.03 118.36 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 144.64 27.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.948 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.533 0.206 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' LEU . 38.6 t -54.24 119.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -130.13 107.25 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.26 84.98 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.22 179.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 73.48 118.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 71.35 109.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 2.4 ptt85 -122.54 62.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 1.9 m170 175.03 103.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.667 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.3 168.6 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.539 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -55.6 179.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -158.45 -64.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.36 61.2 6.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 12' ' ' LEU . 1.8 pp -121.21 174.14 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' GLY . 59.5 p -150.89 152.97 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -113.83 171.71 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 7.2 p -163.29 170.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.415 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . -136.53 -153.96 6.65 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.04 -61.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 4.6 m 60.17 167.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' SER . 10.2 t-20 79.54 -56.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -40.92 107.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.2 mtm180 -47.52 137.21 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.83 70.5 0.23 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 171.29 92.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.64 -140.87 4.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.37 111.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 34.3 mm -44.21 138.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.401 ' N ' HG21 ' A' ' 28' ' ' ILE . 15.8 p90 -129.98 142.94 50.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.6 tp -46.76 126.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -64.05 -40.63 98.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.1 p -179.69 163.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.53 120.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -62.17 85.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' MET . 4.6 tttm -38.94 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.63 81.88 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.43 -128.47 1.15 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.37 -86.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.512 ' CG1' HG13 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -76.16 -21.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -44.95 94.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.09 -23.79 63.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.84 -42.54 62.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.3 -136.84 2.38 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -117.24 55.51 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.512 HG13 ' CG1' ' A' ' 39' ' ' VAL . 9.8 mm -42.13 164.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -131.15 163.7 47.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.01 -37.31 2.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.29 30.24 5.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -76.74 -26.05 54.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.28 48.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 2.1 tm? -92.54 84.78 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.76 4.21 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HG3' ' C ' ' A' ' 84' ' ' THR . 5.0 pt20 -133.41 155.79 48.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 57' ' ' VAL . 9.1 t -139.96 150.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 54' ' ' VAL . 28.5 t30 39.23 -139.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.1 3.17 18.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -85.8 147.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -147.29 88.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.662 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.1 m-85 -79.6 49.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.14 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.62 -25.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.662 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -58.59 -76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.08 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 1.4 t 30.63 51.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.7 t-20 -91.05 23.18 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 42.9 27.59 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 64' ' ' ASN . 21.6 m-20 -164.92 29.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.43 -16.5 15.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.446 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.4 t -56.22 -43.46 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.37 -25.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 71' ' ' LEU . 1.0 OUTLIER -108.96 -43.72 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.447 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -53.48 -39.11 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.64 -16.32 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.82 -19.99 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -64.78 -89.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.9 -37.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.368 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -54.89 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -135.06 -131.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 53.7 p -40.04 160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.7 4.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 145.51 31.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.519 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.5 mt -82.53 145.19 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 83' ' ' LEU . 3.8 t 156.79 47.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -28.43 139.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.453 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 57.6 m -134.38 141.39 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 23.8 m -134.12 154.38 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.93 39.81 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 55.03 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 178.43 62.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 2.5 t90 86.93 71.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -81.14 116.47 62.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 106.84 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.1 t -40.84 110.7 0.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -176.21 2.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 170.95 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 47.8 t -154.04 121.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.9 m -97.02 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 39' ' ' VAL . 4.6 mt -64.74 177.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -51.43 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.07 100.2 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -179.94 131.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.623 1.202 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.9 ptt-85 -127.79 64.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -163.44 76.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.99 166.83 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 72.0 t80 -88.86 173.05 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -176.63 102.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 97.57 0.31 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.25 173.18 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -167.15 155.61 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -109.13 172.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.515 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 4.4 p -163.31 179.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -141.5 -161.9 8.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.9 tt0 175.8 58.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' GLN . 28.3 p -39.37 124.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -166.38 132.23 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.35 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 21.5 mtp180 -77.96 148.69 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . 36.81 90.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 161.19 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.259 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . -161.58 -55.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . 41.28 85.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 40.1 mm -49.24 135.88 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 27' ' ' GLY . 2.9 m-85 -119.1 163.87 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.519 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.3 tp -64.55 122.29 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.69 -49.76 56.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.92 164.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 35' ' ' LYS . 4.5 mp -128.25 120.67 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm -45.81 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HZ1' ' NH2' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -41.14 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.445 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . 36.04 91.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -170.08 -116.0 0.36 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' A' ' 12' ' ' LEU . . . -91.54 -75.3 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.519 ' CG1' HG13 ' A' ' 45' ' ' ILE . 10.7 t -73.94 -21.38 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 36' ' ' GLY . . . -75.92 -44.36 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 37' ' ' GLY . . . -63.13 -18.96 64.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -45.3 64.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 40' ' ' ALA . . . -162.41 -128.84 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' NH2' ' HZ1' ' A' ' 35' ' ' LYS . 11.8 ttm180 -137.83 64.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.519 HG13 ' CG1' ' A' ' 39' ' ' VAL . 15.3 mm -47.82 165.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.4 mt-10 -134.88 161.15 65.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.519 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -34.08 4.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.05 17.06 53.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -57.37 -25.34 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.2 ttt 81.59 54.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 3.2 tm? -92.82 85.19 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.46 5.77 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.4 pt20 -138.07 148.37 44.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 ' O ' ' C ' ' A' ' 55' ' ' ASN . 19.1 t -137.81 152.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 23.0 t30 38.68 -138.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 4.7 p-10 -83.25 7.63 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.575 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -85.83 160.22 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.0 p30 -152.4 90.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 21.8 m-85 -80.3 52.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.56 -51.14 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -10.17 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.566 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 1.4 ttp -77.34 -84.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 31.47 40.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 22.1 t30 -58.64 -66.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.45 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -139.46 47.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.41 -24.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 70' ' ' VAL . 1.5 t -42.8 -43.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -41.53 -26.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -106.2 -48.95 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.7 -43.47 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 4.9 ttt85 -62.45 -19.32 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt-20 -78.48 -20.64 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.3 mm -63.8 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.441 HG11 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.98 -38.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.7 t -53.84 -62.45 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.5 mt-30 -127.78 -118.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.6 p -52.19 -173.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.0 115.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.89 37.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.513 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.3 mt -76.68 144.47 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 157.98 47.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 0.0 110.036 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -33.94 141.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' GLN . 99.5 m -135.07 139.05 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 23.6 m -137.03 155.54 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.33 38.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.506 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.11 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.14 100.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.547 ' CH2' ' HG3' ' A' ' 91' ' ' PRO . 24.9 t90 -42.77 -72.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.076 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.05 87.75 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.547 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 105.98 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.577 1.83 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 8.9 t -111.36 144.82 31.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.5 Cg_endo -74.94 174.57 12.53 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.538 1.809 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 3.9 ptp180 -97.13 148.84 22.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.579 0.228 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.0 t -55.08 143.11 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m -115.21 98.95 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' CD1' HG21 ' A' ' 39' ' ' VAL . 3.9 mt -56.51 179.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -93.82 108.77 20.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -36.16 120.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 176.41 76.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 mtm105 -63.66 99.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 5.2 m-70 -116.89 -81.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 1.6 m80 171.88 -62.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -37.05 135.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.73 60.1 6.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.64 174.27 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' GLY . 54.0 p -163.76 155.85 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 pp -114.21 171.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.512 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 7.5 p -158.91 169.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.428 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . -134.33 -147.41 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 68.27 105.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -177.63 3.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -108.32 -43.13 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.96 177.46 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -58.28 121.4 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.85 -152.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 43.43 91.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.35 66.89 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . -43.32 108.53 0.17 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 45.2 mm -49.04 140.86 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 10.2 p90 -136.6 154.02 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.5 tp -52.45 119.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.35 -46.04 81.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.4 p 179.97 169.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HG21 ' A' ' 45' ' ' ILE . 5.2 mp -122.31 138.32 52.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.517 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -46.11 -24.97 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 34' ' ' MET . 0.0 OUTLIER 88.82 -36.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 40' ' ' ALA . . . -132.43 104.02 0.54 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.03 -119.89 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.04 -82.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.488 ' CG1' HG13 ' A' ' 45' ' ' ILE . 2.6 t -73.44 -14.24 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.477 ' CB ' ' C ' ' A' ' 35' ' ' LYS . . . -70.94 -49.76 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.8 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.09 -46.88 87.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.59 -138.91 2.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ILE . 3.8 mmm-85 -124.19 57.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG13 ' CG1' ' A' ' 39' ' ' VAL . 29.9 mm -43.06 164.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -120.96 162.03 37.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.1 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.67 14.38 36.66 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -53.81 -30.95 47.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.604 0.826 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER 82.89 49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 ' CB ' ' A' ' 83' ' ' LEU . 3.3 tm? -86.05 83.33 7.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.28 4.64 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.486 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.3 pt20 -135.68 142.56 45.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.587 HG12 ' N ' ' A' ' 55' ' ' ASN . 75.7 t -138.18 148.82 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.587 ' N ' HG12 ' A' ' 54' ' ' VAL . 8.7 p30 42.64 -139.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -82.35 6.79 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.81 150.33 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -146.83 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 24.0 m-85 -79.09 50.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.18 -45.02 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -0.95 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -86.11 -73.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.944 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.543 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.4 t 28.33 46.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.4 t30 -91.59 26.78 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t0 39.88 30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' ASN . 25.0 m-20 -163.92 30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -15.04 21.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.441 ' C ' ' N ' ' A' ' 70' ' ' VAL . 3.0 t -59.71 -42.84 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -26.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.574 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -107.52 -44.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -50.38 -41.57 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.2 ttt180 -64.14 -17.62 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -80.33 -20.09 45.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.92 -92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.479 ' CG1' HD13 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.88 -38.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 4.1 t -51.24 -59.37 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -135.73 -118.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 65.2 p -51.6 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.03 115.09 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.76 31.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.5 mt -75.64 145.6 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 157.05 52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -35.71 145.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.486 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 76.0 m -141.26 139.94 33.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.409 HG12 ' C ' ' A' ' 84' ' ' THR . 2.3 m -138.21 156.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.218 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.17 37.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 50.28 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 178.96 73.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 1.2 t-105 85.28 66.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 93' ' ' PRO . 18.3 Cg_endo -75.0 106.07 2.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -36.82 97.7 0.14 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' PRO . 18.0 Cg_endo -74.95 -174.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.74 137.37 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.036 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t -144.72 133.87 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m -110.67 97.94 7.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -95.68 77.62 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER 53.88 171.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.39 85.51 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -148.37 133.97 18.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.7 124.91 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -121.29 175.15 6.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 109.605 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -119.12 -63.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.619 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.67 146.81 54.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.07 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.84 76.16 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -123.55 170.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.565 0.803 . . . . 0.0 109.367 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 p -160.19 154.92 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -114.66 172.82 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 13.0 p -163.79 172.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.76 -163.7 10.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.56 -63.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 m 59.86 172.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -122.82 -54.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -142.14 -52.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.227 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.41 114.58 16.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.28 -151.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.25 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.2 84.94 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -43.34 104.44 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 50.5 mm -53.04 139.01 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.679 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 24.7 p90 -131.11 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.486 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.3 tp -50.09 127.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.19 94.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.8 m -178.88 157.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.3 mp -109.86 121.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -41.72 -34.3 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt 73.59 41.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.435 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -77.69 -111.6 0.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.69 -11.03 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -80.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG1' HG13 ' A' ' 45' ' ' ILE . 2.5 t -73.5 -21.07 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.181 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HB1' ' N ' ' A' ' 36' ' ' GLY . . . -67.48 -44.64 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -17.8 63.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.88 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 152.67 56.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 38.84 60.98 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 16.4 mm -43.53 164.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -121.65 163.22 32.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.08 -37.34 2.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 21.59 11.3 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 50' ' ' MET . 9.0 t70 -63.31 -27.89 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 81.59 52.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.6 86.82 6.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.97 4.19 5.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.38 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -135.41 154.08 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 12.8 t -140.12 150.97 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 16.6 t30 42.08 -140.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -81.04 6.57 13.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.94 155.15 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -147.92 89.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.623 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 15.6 m-85 -79.5 51.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.82 -55.08 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.19 -14.85 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 1.2 tpp -67.07 -73.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.4 t 24.55 51.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 66' ' ' ASP . 7.6 t30 -92.03 25.88 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.53 29.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' ASN . 5.7 p30 -170.57 32.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.71 26.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.444 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.6 t -57.46 -42.21 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -43.42 -25.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -109.47 -44.81 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -41.57 59.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.8 OUTLIER -65.59 -17.92 64.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -80.89 -20.05 43.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.5 mm -65.03 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.476 HG12 ' CG1' ' A' ' 81' ' ' ILE . 3.3 m -38.22 -43.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -47.3 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.9 mt-30 -132.29 -118.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 77' ' ' GLN . 63.5 p -52.12 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.37 117.88 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 147.35 33.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.4 mt -78.1 145.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.82 45.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.932 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -31.36 144.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.473 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 51.5 m -136.53 144.77 44.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG11 ' C ' ' A' ' 84' ' ' THR . 12.6 m -136.77 153.89 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.09 41.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 51.09 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.07 119.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -42.41 116.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.9 153.79 11.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.21 2.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.491 1.785 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.4 t -115.77 115.08 41.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -58.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.92 165.61 29.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 85' ' ' VAL . 38.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 95.3 t -146.13 142.93 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m -112.13 97.25 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt -62.84 117.04 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.18 102.12 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.26 149.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.57 166.2 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' HA ' ' CD1' ' A' ' 81' ' ' ILE . 46.8 mtm180 -71.92 88.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.45 174.0 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.614 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -117.58 101.18 8.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -123.21 -37.63 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -107.82 142.58 37.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.07 120.21 6.8 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.66 174.03 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.6 OUTLIER -163.06 165.41 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.069 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' CG2' ' A' ' 28' ' ' ILE . 1.5 pp -115.68 169.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 29' ' ' TYR . 13.8 p -157.23 171.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' CA ' HD12 ' A' ' 28' ' ' ILE . . . -140.92 -162.52 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 178.99 -47.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.74 114.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -139.4 115.21 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.01 89.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 179.4 66.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.17 76.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.23 124.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.09 90.75 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.44 0.81 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 21.2 mm -50.96 137.59 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CE2' HG13 ' A' ' 17' ' ' VAL . 1.3 p90 -126.49 163.41 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.5 tp -55.45 124.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.496 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.75 -48.56 76.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.96 158.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.96 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 1.4 mp -107.84 119.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 mtp -67.67 -5.49 16.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 40' ' ' ALA . 1.4 mtmt 68.08 -106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.58 -43.6 3.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.55 -9.89 2.91 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.21 -75.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.481 ' CG1' HG13 ' A' ' 45' ' ' ILE . 50.1 t -76.49 -21.38 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HB3' ' CB ' ' A' ' 35' ' ' LYS . . . -65.36 -44.67 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.71 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.31 -45.89 72.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 151.23 56.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 38.07 59.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.783 . . . . 0.0 110.199 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm -43.61 165.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.4 mt-10 -126.39 162.36 46.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.82 2.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.21 11.11 38.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -48.7 -33.5 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.57 48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.2 tm? -81.54 88.65 6.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.7 5.88 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 84' ' ' THR . 3.9 pt20 -137.77 144.56 41.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' O ' ' C ' ' A' ' 55' ' ' ASN . 73.4 t -142.02 151.28 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' C ' ' O ' ' A' ' 54' ' ' VAL . 15.9 p-10 33.92 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.95 8.97 7.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.4 155.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -145.2 88.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.503 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 18.1 m-85 -80.0 54.51 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.55 -69.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -24.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.485 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 tpp -64.04 -85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 63' ' ' SER . 3.5 t 35.83 49.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.73 155.54 16.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 2.4 t0 -75.63 54.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 2.7 p30 156.21 43.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.56 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.439 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -58.35 -39.27 73.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -44.5 -23.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.68 -49.79 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -49.09 -43.55 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.75 -20.26 63.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.22 -21.53 56.31 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -66.46 -92.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.459 HG13 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.64 -37.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 11.4 t -55.59 -66.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.2 mt-30 -131.04 -131.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 41.4 p -41.7 158.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 110.436 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.71 117.04 3.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 149.94 37.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.9 mt -81.97 145.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.4 50.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.965 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -37.13 145.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 88.1 m -146.1 143.26 29.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 13.0 m -130.8 155.46 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -90.31 40.8 1.02 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 52.85 173.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 175.98 64.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.458 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 85.39 -67.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -46.31 124.69 7.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.426 ' O ' ' NZ ' ' A' ' 87' ' ' LYS . 18.4 Cg_endo -75.0 -164.18 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.1 m -124.61 139.9 34.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.99 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.406 1.74 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -167.56 168.86 12.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.527 0.203 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' LEU . 22.0 t -44.94 133.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -108.82 98.85 8.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' CD1' HG21 ' A' ' 39' ' ' VAL . 3.5 mt -52.26 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -130.42 171.34 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.74 176.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.74 -179.12 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -82.96 120.12 25.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -179.61 53.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -177.87 167.36 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -84.04 179.56 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.48 120.81 5.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.21 68.43 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.1 pt -124.62 175.43 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.5 156.55 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.951 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG22 ' CG2' ' A' ' 68' ' ' VAL . 1.1 pp -110.4 173.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 29' ' ' TYR . 9.0 p -161.36 175.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.38 -162.99 9.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -160.52 -52.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 0.741 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m 66.78 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' GLN . 13.5 t30 72.19 169.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.4 -54.92 18.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -136.66 156.45 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.63 -147.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 49.8 90.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.375 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.54 -147.33 4.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.58 88.65 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 43.8 mm -44.92 139.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE2' HG12 ' A' ' 17' ' ' VAL . 3.8 p90 -135.16 152.05 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.7 tp -49.85 124.89 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.34 -46.13 93.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -177.08 164.87 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 2.1 mp -118.48 120.77 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mmt -43.26 -26.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' CA ' ' HB1' ' A' ' 40' ' ' ALA . 1.2 ttmt 76.43 0.9 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.451 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -148.18 75.9 0.26 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.53 -128.25 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.03 -81.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.494 ' CG1' HG13 ' A' ' 45' ' ' ILE . 1.4 t -76.9 -14.49 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB1' ' CA ' ' A' ' 35' ' ' LYS . . . -69.92 -48.29 59.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.3 -16.65 59.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.03 -43.85 91.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.03 -138.99 2.53 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.441 1.088 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -124.89 55.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG13 ' CG1' ' A' ' 39' ' ' VAL . 43.4 mm -47.26 163.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 1.7 mt-10 -120.28 163.85 26.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.497 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.0 -37.77 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 33.14 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -75.77 -29.05 58.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 83.37 45.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 51' ' ' LEU . 3.4 tm? -86.45 87.48 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.357 1.036 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.39 9.03 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.3 pt20 -137.19 152.0 49.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 53' ' ' GLN . 25.5 t -141.07 155.05 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 39.84 -142.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.19 7.09 10.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.559 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -88.1 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.71 90.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 24.9 m-85 -75.93 51.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.66 -61.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.92 -18.01 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.602 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.46 -74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 27.79 53.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' ASP . 6.5 t-20 -91.6 26.01 2.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 65.5 t0 42.44 28.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASN . 45.4 m-20 -167.44 31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.76 -14.77 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.43 ' CG2' HG22 ' A' ' 16' ' ' ILE . 2.6 t -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -22.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -109.46 -45.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.59 -41.71 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.9 OUTLIER -65.39 -19.16 65.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.26 -18.68 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.13 -93.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.25 -38.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.8 t -52.26 -58.51 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.6 mt-30 -134.43 -119.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' GLN . 15.1 p -51.37 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.19 119.37 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.1 mt -75.71 143.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.45 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.2 OUTLIER -32.79 147.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 53.7 m -139.77 144.96 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 50' ' ' MET . 13.6 m -135.8 152.45 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 23.98 11.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 59.49 170.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.77 77.52 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ASP . 3.0 t90 71.23 -64.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' TRP . 34.3 t70 40.48 89.12 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.88 4.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.5 t -168.09 137.32 2.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_endo -75.04 161.79 38.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 176.12 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 15.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 1' ' ' THR . 95.3 t -156.26 135.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m -100.45 95.59 6.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.21 149.34 28.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -106.28 102.05 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.2 170.29 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.55 142.46 32.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -70.4 97.0 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -123.6 -78.71 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -177.63 -172.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.586 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 58.47 153.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.22 -73.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 50.94 2.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 pp -120.52 167.33 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.47 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -157.81 162.83 38.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.5 pp -124.7 171.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.583 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 7.1 p -161.36 169.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . -131.82 -164.74 11.17 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.0 72.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.3 p -117.0 111.67 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 109.972 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -176.39 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.1 -54.39 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 175.19 100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.39 -150.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.39 89.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.75 -61.44 0.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.44 93.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 44.9 mm -52.12 138.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.583 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 23.5 p90 -131.23 144.24 51.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.502 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 6.1 tp -46.51 126.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 109.223 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.08 94.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -178.6 159.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 45' ' ' ILE . 2.0 mp -111.48 122.19 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -29.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? 46.7 57.84 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -108.99 -54.8 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.421 ' CA ' ' HB1' ' A' ' 40' ' ' ALA . . . -163.59 -37.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -94.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.779 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 45' ' ' ILE . 17.5 t -64.88 -13.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.425 ' HB3' ' N ' ' A' ' 36' ' ' GLY . . . -61.74 -43.58 98.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.55 -23.08 58.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -49.34 -45.03 45.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 143.02 60.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 36.49 55.79 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.6 mm -42.83 164.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.2 mt-10 -126.27 162.33 46.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.502 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.04 -39.66 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.43 35.41 3.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 50' ' ' MET . 42.3 t0 -80.33 -25.96 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.59 53.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.87 90.34 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -133.46 9.1 3.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 3.9 pt20 -135.59 152.76 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 55' ' ' ASN . 78.7 t -137.04 155.37 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' VAL . 23.8 t30 36.08 -140.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.24 5.04 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -84.83 156.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -152.1 89.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.638 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.7 m-85 -77.96 51.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -66.15 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -51.17 -22.38 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.638 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.93 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.3 t 34.15 49.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.9 t30 -90.4 28.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 39.68 29.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 64' ' ' ASN . 6.6 p30 -162.92 28.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.95 -14.5 23.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.434 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.6 t -59.98 -41.63 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -25.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.434 ' N ' ' C ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -109.08 -44.26 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' N ' HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -52.45 -40.85 62.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.3 ttp180 -65.89 -17.81 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -21.27 44.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -68.15 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.11 -39.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.7 t -52.61 -64.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.7 mt-30 -132.81 -129.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 69.0 p -43.0 166.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.19 120.42 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.432 1.083 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.08 30.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.059 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.7 mt -78.59 146.83 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.5 49.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 82' ' ' SER . 6.3 mt -35.69 152.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.467 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 52.1 m -141.16 144.23 34.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.414 HG13 ' C ' ' A' ' 84' ' ' THR . 4.0 m -133.18 152.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -110.57 37.81 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 53.83 170.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 174.96 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.177 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 51.2 63.58 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.8 103.41 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 105.95 2.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 15.0 t -98.5 144.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.4 Cg_endo -74.97 170.23 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -100.43 172.12 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 109.936 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.422 ' N ' HG21 ' A' ' 85' ' ' VAL . 7.5 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.0 t -74.85 121.23 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m -129.92 104.94 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.477 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.24 173.6 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -145.9 104.09 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -151.84 77.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 58.22 169.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 21.4 ttp-105 -123.83 77.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -96.14 172.68 7.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -108.33 62.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.661 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -166.44 135.64 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.36 -60.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.28 75.8 1.26 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.3 pp -136.21 177.61 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -171.82 159.91 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 28' ' ' ILE . 1.2 pp -112.17 173.58 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.578 HG11 ' CE2' ' A' ' 29' ' ' TYR . 7.4 p -160.51 168.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' N ' ' CG2' ' A' ' 17' ' ' VAL . . . -138.82 -165.17 10.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 173.45 67.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -49.01 160.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 65.27 85.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.74 -52.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.74 69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 36.45 57.78 1.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.99 118.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 0.796 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.96 -62.92 1.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.84 82.27 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 44.3 mm -53.61 137.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.578 ' CE2' HG11 ' A' ' 17' ' ' VAL . 8.8 p90 -127.2 158.55 36.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.8 tp -54.47 126.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -63.7 -43.87 97.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 m 179.84 157.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' HG23 ' A' ' 45' ' ' ILE . 4.4 mp -125.4 129.2 72.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.2 mtt -51.89 88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -40.18 159.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.471 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . 40.33 78.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.389 1.056 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.11 -126.95 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.63 -76.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.504 ' CG1' HG13 ' A' ' 45' ' ' ILE . 15.4 t -75.02 -26.9 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 34' ' ' MET . . . -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -15.3 63.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.08 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -175.97 53.48 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 34.92 58.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.504 HG13 ' CG1' ' A' ' 39' ' ' VAL . 16.5 mm -42.11 163.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.4 mt-10 -127.16 162.34 48.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.489 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -85.66 23.0 9.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -65.51 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 83.37 48.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.43 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.4 tm? -85.2 81.09 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.72 7.75 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.2 pt20 -136.51 148.71 47.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' ASN . 24.1 t -140.46 150.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.5 t-20 35.49 -139.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.67 4.89 14.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.13 157.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.407 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 8.1 m120 -151.34 89.88 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.562 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 21.2 m-85 -82.98 54.54 2.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.84 -52.44 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -11.21 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.556 ' HE3' ' CD1' ' A' ' 59' ' ' PHE . 1.7 tpp -73.1 -83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.4 t 30.22 42.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' MET . 39.7 t30 -65.98 -66.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 8.7 t0 166.09 -37.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.33 46.78 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.09 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.447 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.1 t -51.23 -41.16 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -43.5 -24.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.5 OUTLIER -106.61 -48.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -41.52 47.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 3.7 tpt180 -64.68 -18.97 65.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -79.06 -21.32 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' VAL . 3.2 mm -63.34 -92.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG13 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.76 -39.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 8.1 t -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.0 mt-30 -126.37 -116.52 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 77' ' ' GLN . 73.5 p -50.62 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.65 115.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.68 34.22 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' SER . 4.9 mt -73.49 144.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 4.6 t 155.69 44.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' GLN . 54.8 m -140.87 146.93 38.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 19.1 m -133.48 153.38 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -94.83 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 52.16 174.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.367 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . -177.88 82.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER 87.31 148.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 130.97 65.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.0 m -149.03 74.93 9.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.74 3.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -128.4 170.62 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' VAL . 14.4 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' THR . 31.3 t -40.26 121.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m -116.36 98.61 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.61 111.23 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 151.5 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.5 ttt -179.6 124.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.623 1.202 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 67.57 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.31 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.74 166.84 10.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.48 179.88 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 58.72 113.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD22 ' CG1' ' A' ' 14' ' ' ILE . 0.2 OUTLIER -142.99 -62.31 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 59.0 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' CG1' HD22 ' A' ' 12' ' ' LEU . 1.9 pp -120.43 171.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.586 0.815 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -161.18 158.61 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pp -110.43 174.51 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.363 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 9.7 p -159.25 170.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.08 -164.48 10.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.96 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m 60.66 148.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.071 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.2 t-20 -125.19 148.24 48.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.56 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -154.08 105.41 2.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 35.66 89.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.569 1.168 . . . . 0.0 111.047 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.39 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.387 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.17 -85.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.32 105.6 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.491 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 47.8 mm -50.35 139.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 3.7 p90 -134.01 160.52 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.6 tp -54.55 121.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.36 -49.6 63.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p 179.92 170.77 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 110.057 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.483 ' CG2' HG13 ' A' ' 39' ' ' VAL . 4.8 mp -126.84 138.09 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' LYS . 16.6 mtm -86.65 26.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' C ' ' CB ' ' A' ' 40' ' ' ALA . 12.7 mttt 37.58 40.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 40' ' ' ALA . . . -59.56 -124.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.46 -12.49 4.18 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.85 -83.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 33' ' ' ILE . 19.9 t -65.54 -22.0 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 36' ' ' GLY . . . -67.75 -48.12 67.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.47 -28.44 44.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -51.04 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.74 -123.18 1.27 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.429 1.081 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' ILE . 7.4 mtm180 -113.84 54.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 0.724 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 10.5 mm -42.18 164.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mt-10 -126.69 162.55 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.96 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 50' ' ' MET . 17.0 t70 -54.09 -30.38 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 0.779 . . . . 0.0 109.306 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER 82.33 50.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' A' ' 83' ' ' LEU . 1.3 tm? -89.34 82.7 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' CD2' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -124.9 1.76 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.8 pt20 -135.88 154.25 51.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 14.5 t -140.39 151.16 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.599 ' ND2' ' HG ' ' A' ' 82' ' ' SER . 5.5 t-20 38.89 -140.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 0.38 21.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.21 147.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' N ' HG12 ' A' ' 57' ' ' VAL . 79.7 m-20 -145.88 89.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CZ ' HG13 ' A' ' 57' ' ' VAL . 21.4 m-85 -78.15 46.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ASN . 2.7 mm-40 -57.13 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 m-20 -39.94 -44.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.535 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -46.9 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.52 ' O ' ' OG ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 45.47 23.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 62' ' ' MET . 3.9 t-20 -50.79 163.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 33.5 t70 -83.8 44.92 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 160.45 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.75 -14.64 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.431 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -60.39 -40.27 83.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.69 -49.75 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.83 -42.92 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.45 -21.87 64.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.7 OUTLIER -74.84 -19.52 60.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -69.27 -91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.86 -37.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -53.23 -57.93 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.9 mt-30 -137.02 -123.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 ' O ' ' O ' ' A' ' 77' ' ' GLN . 72.7 p -46.52 174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.25 121.36 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.47 42.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.596 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.6 mt -85.71 146.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.599 ' HG ' ' ND2' ' A' ' 55' ' ' ASN . 2.5 p 151.82 45.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -31.72 144.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.467 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 85.3 m -130.76 142.3 50.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.404 HG11 ' C ' ' A' ' 84' ' ' THR . 12.8 m -136.23 154.93 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.78 39.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.14 173.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 176.97 90.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER 74.16 117.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 107.968 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TRP . 2.9 p30 -39.37 99.95 0.2 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' TRP . 18.5 Cg_endo -74.97 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.82 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -91.26 146.65 33.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 174.24 13.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -143.49 170.96 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.8 t -144.31 126.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 m -102.9 97.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.506 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -96.47 171.99 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -118.94 138.28 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' GLU . 1.6 mtm 169.59 123.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -44.63 169.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 10.3 ptt180 -105.58 131.18 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER 169.07 166.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.618 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.31 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.55 175.43 7.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.13 96.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.1 104.22 1.61 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pp -126.69 174.23 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 30' ' ' ILE . 0.4 OUTLIER -157.45 156.17 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.942 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.89 174.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 28' ' ' ILE . 8.5 p -169.66 174.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.46 -167.92 12.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER 173.72 86.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 0.752 . . . . 0.0 110.258 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 m -40.15 -57.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.4 96.3 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' CB ' ' HB3' ' A' ' 19' ' ' GLN . 10.1 t70 177.65 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER 66.67 123.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 37.42 30.74 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.1 t0 41.63 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.09 -168.67 18.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.17 96.89 2.27 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 35.3 mm -60.9 131.62 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.582 ' CZ ' ' O ' ' A' ' 27' ' ' GLY . 17.7 m-85 -124.04 143.62 50.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.492 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.7 tp -52.12 120.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.09 35.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.7 p -179.83 168.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.786 . . . . 0.0 109.954 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 33' ' ' ILE . 1.8 mp -113.44 122.15 67.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt -45.97 -25.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm 46.6 62.83 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -106.3 -52.1 0.79 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.28 -34.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.46 -85.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 45' ' ' ILE . 16.6 t -73.58 -13.6 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' N ' ' A' ' 36' ' ' GLY . . . -63.22 -33.9 76.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.09 -26.44 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.34 -40.03 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 135.94 69.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 30.8 55.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG13 ' CG1' ' A' ' 39' ' ' VAL . 7.7 mm -42.26 164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.497 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 1.7 mt-10 -123.04 165.24 22.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.492 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -31.47 6.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -86.17 17.85 35.46 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.38 -32.34 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.73 48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 83' ' ' LEU . 1.5 tm? -87.3 77.25 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.527 ' CD2' ' O ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -120.54 -0.08 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.7 pt20 -134.95 155.08 51.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 18.7 t -140.32 153.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.4 t-20 37.77 -140.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 2.39 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.569 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.4 153.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -151.66 89.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 23.1 m-85 -80.2 48.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.04 -68.68 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.38 -31.03 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.645 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -57.83 -81.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 32.58 53.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ASP . 16.3 t30 -91.63 26.49 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.1 t0 45.52 26.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.082 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.4 p30 -164.31 29.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.61 5.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -54.1 -42.52 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -25.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.59 -47.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.34 -43.67 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.46 63.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -77.21 -19.53 56.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.215 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.6 mm -67.89 -91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.65 -37.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.4 -61.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.39 -130.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 77.5 p -43.21 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.49 115.56 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.69 32.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.9 mt -78.24 146.76 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.6 m 154.14 47.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.53 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -30.09 142.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.465 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 87.1 m -132.03 141.52 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.404 HG13 ' C ' ' A' ' 84' ' ' THR . 5.3 m -137.32 155.13 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.46 36.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 54.22 171.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . -179.72 60.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 86.79 66.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 107.979 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -89.48 113.7 57.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 56.05 4.18 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.476 1.777 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m 40.59 89.65 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -69.79 168.43 15.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.39 143.91 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -122.72 101.41 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD12 ' CG2' ' A' ' 39' ' ' VAL . 3.0 mt -48.93 173.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.8 -169.06 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.2 169.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.83 179.86 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 144.01 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -139.38 177.59 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.652 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -121.82 58.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.535 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -171.62 111.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.81 120.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.45 0.64 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pp -124.88 171.65 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.54 157.72 30.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 28' ' ' ILE . 1.1 pp -112.04 175.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 14.6 p -166.85 172.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.1 -162.44 9.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -45.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.236 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.96 92.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t30 178.12 155.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -42.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.2 tpt180 -177.19 90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.45 58.93 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.625 1.203 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 40.35 88.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 40.38 -140.41 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.67 86.51 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.24 134.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.256 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.602 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 11.5 p90 -127.2 159.15 35.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.486 1.116 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.491 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.8 tp -55.29 123.93 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -59.96 -43.69 97.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 180.0 160.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.954 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 45' ' ' ILE . 4.3 mp -123.52 121.02 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -52.8 93.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -45.01 169.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.483 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . 36.86 70.79 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.03 -125.11 0.99 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.73 -81.78 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 0.733 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.533 ' CG1' HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -71.25 -19.74 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' N ' ' A' ' 36' ' ' GLY . . . -69.71 -48.29 60.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.73 -20.53 65.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.23 -50.67 72.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' ALA . . . -162.17 -141.08 3.03 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ILE . 1.1 mtt180 -119.02 55.04 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG13 ' CG1' ' A' ' 39' ' ' VAL . 31.5 mm -41.35 162.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.1 mt-10 -133.8 161.51 63.3 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.491 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.01 -34.42 3.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -84.78 19.6 19.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -60.87 -29.89 69.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.32 48.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 1.3 tm? -89.27 84.52 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.01 0.49 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.7 pt20 -131.6 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 9.8 t -139.97 150.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.5 t-20 34.7 -137.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -80.86 4.14 20.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 1.8 t -80.11 160.17 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 35.9 m120 -155.56 94.44 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' CZ ' ' CG1' ' A' ' 70' ' ' VAL . 21.4 m-85 -81.23 22.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -53.58 152.36 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.3 t-20 77.89 -50.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -35.82 -64.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 27.25 54.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.9 12.33 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.92 20.72 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -164.1 29.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -14.71 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.1 t -55.73 -41.26 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -25.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.41 -47.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.75 -43.18 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.8 tpt180 -63.12 -19.02 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -78.78 -20.56 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.2 mm -65.76 -92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.485 HG11 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.54 -38.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.9 t -51.97 -62.56 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -130.71 -116.74 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.4 p -52.58 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.93 115.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 148.59 35.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.1 mt -76.48 146.25 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 3.5 t 155.32 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.493 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -33.44 145.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 91.0 m -140.02 143.29 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 14.9 m -134.88 153.94 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -94.01 41.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 51.63 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 80.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.2 t90 77.26 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.013 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -92.37 132.54 31.73 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.46 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.3 m -118.98 124.49 28.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.459 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 39.45 58.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t -136.66 137.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m -124.65 99.79 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.8 77.54 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 52.67 175.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.02 77.98 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -113.5 -179.99 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -178.86 84.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 179.02 72.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.29 144.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -59.62 166.21 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -146.27 99.12 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 73.32 2.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.11 172.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 23.2 p -159.8 152.26 21.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 HD12 ' CA ' ' A' ' 66' ' ' ASP . 1.1 pt -110.01 176.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.506 ' CG1' ' CE2' ' A' ' 29' ' ' TYR . 9.1 p -167.06 170.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.7 -155.33 6.48 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.439 1.087 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 175.04 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p 63.84 148.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -147.9 133.64 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.67 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 54.06 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.79 -139.2 0.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 65.95 98.79 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.793 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.11 99.37 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.45 122.9 21.82 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CD1' ' HA ' ' A' ' 65' ' ' ASP . 47.5 mm -51.51 140.38 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.506 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 19.4 p90 -131.38 142.89 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.2 tp -48.27 123.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.37 -43.4 95.74 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 p -179.0 151.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 33' ' ' ILE . 1.8 mp -114.3 123.16 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.74 85.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HA ' ' CB ' ' A' ' 40' ' ' ALA . 9.6 mttt -38.99 129.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . 87.41 51.71 3.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . -145.33 -127.68 1.96 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 12' ' ' LEU . . . -84.04 -74.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.304 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG1' HG13 ' A' ' 45' ' ' ILE . 3.4 t -81.08 -27.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' MET . . . -66.48 -44.35 82.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 37' ' ' GLY . . . -68.27 -22.32 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.65 -47.63 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.373 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.4 -147.79 6.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' ILE . 3.3 ttp180 -95.88 44.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG13 ' CG1' ' A' ' 39' ' ' VAL . 40.5 mm -40.57 160.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -127.51 164.62 35.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.495 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.0 Cg_endo -75.06 -34.79 3.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.77 22.93 15.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -64.99 -26.06 68.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER 85.71 54.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 85' ' ' VAL . 1.5 tm? -88.35 78.67 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.24 0.8 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 84' ' ' THR . 3.2 pt20 -138.16 152.22 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 42.1 t -140.32 157.38 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.0 t-20 39.17 -141.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 7.93 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.44 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.55 159.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 76.9 m-20 -156.19 90.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.592 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.4 m-85 -77.32 52.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.3 mm-40 -65.63 -65.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -17.95 7.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.592 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -70.62 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 26.46 52.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.957 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -91.31 28.76 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 41.09 28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.449 ' N ' ' C ' ' A' ' 64' ' ' ASN . 23.8 m-20 -166.95 30.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -14.75 25.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.4 t -57.88 -38.9 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -22.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -110.38 -46.91 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -41.89 48.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -64.12 -19.61 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.21 -19.53 53.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.59 -92.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG13 ' CG1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.29 -38.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.2 t -52.05 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -133.67 -118.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.223 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 50.7 p -52.06 -173.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.6 118.22 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.57 35.33 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.559 ' O ' ' CB ' ' A' ' 82' ' ' SER . 3.0 mt -77.17 146.46 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.4 m 153.36 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -31.12 144.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.55 ' N ' ' O ' ' A' ' 53' ' ' GLN . 50.5 m -130.24 148.81 52.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' CG1' HD21 ' A' ' 51' ' ' LEU . 3.0 m -144.58 155.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.96 37.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.54 172.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.221 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.6 91.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.7 m-90 67.42 64.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' TRP . 0.6 OUTLIER -40.24 115.06 1.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.52 4.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -38.72 125.94 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.442 1.759 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.32 134.81 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.454 ' HB ' ' CG2' ' A' ' 84' ' ' THR . 1.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.5 t -144.47 128.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.7 m -102.42 96.42 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HG ' ' CG2' ' A' ' 39' ' ' VAL . 5.3 mt -61.08 179.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.21 -176.88 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.28 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.9 ttm -72.2 126.07 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 177.71 156.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -172.92 73.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 10' ' ' HIS . 4.9 t60 -177.26 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' HIS . 1.4 t60 -39.48 156.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -76.23 178.36 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.26 -64.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.42 63.03 1.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.605 1.191 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 pt -123.28 175.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.28 152.37 30.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.1 pt -107.42 177.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG12 ' CZ ' ' A' ' 29' ' ' TYR . 8.2 p -173.36 175.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -146.8 -170.44 15.21 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.3 pt20 -143.3 40.74 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' GLN . 62.0 p -38.94 121.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 177.75 124.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.39 169.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -48.64 141.52 7.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.19 -149.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.06 116.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 0.803 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.3 -57.46 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.66 83.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.7 mm -53.96 136.59 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 2.1 p90 -137.07 158.94 43.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.516 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 4.3 tp -54.8 119.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.88 -43.97 96.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 92.6 p 179.96 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.955 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.553 ' CD1' ' CG2' ' A' ' 45' ' ' ILE . 4.7 mp -130.41 127.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' LYS . 5.6 mmt -63.94 89.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' MET . 43.2 mttt -39.7 103.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.31 71.83 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.5 -125.87 0.79 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.7 -87.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.512 ' CG1' ' CD1' ' A' ' 45' ' ' ILE . 2.7 t -78.07 -13.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.59 -46.6 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.3 -17.7 61.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -42.05 98.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.48 -102.94 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -160.11 76.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.553 ' CG2' ' CD1' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -50.09 179.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.3 mt-10 -142.91 160.35 53.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.53 31.78 3.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -76.59 -30.83 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.79 47.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 3.2 tm? -85.88 81.93 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.46 1.66 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.6 pt20 -134.25 151.57 51.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 83' ' ' LEU . 7.5 t -139.9 152.37 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.1 t-20 36.14 -139.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -80.11 4.34 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.01 160.43 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 84.6 m-20 -156.11 92.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.562 ' CD1' ' HE3' ' A' ' 62' ' ' MET . 21.9 m-85 -81.46 38.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 2.5 mm-40 -69.02 147.98 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER 81.27 -44.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.589 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -38.81 -61.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 22.66 58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ASP . 9.5 t-20 -88.73 22.48 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 48.32 24.23 0.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.1 p30 -173.0 34.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.6 -17.29 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.3 t -57.07 -38.14 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -23.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -104.85 -49.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -43.45 40.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -61.6 -20.83 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -76.18 -20.61 57.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.51 -92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -38.44 -38.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.6 t -52.55 -60.6 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -132.14 -119.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 16.4 p -52.09 -173.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.82 114.63 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 151.84 39.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.4 mt -77.97 147.22 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.5 m 155.91 50.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.017 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -32.61 141.8 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 98.0 m -137.46 138.91 40.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -133.23 151.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.48 36.61 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.94 171.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 175.3 58.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -176.36 172.46 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 107.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.88 155.74 1.91 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.412 1.743 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 1.3 m -154.76 137.48 10.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -75.03 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.79 168.18 18.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.216 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.418 ' N ' HG22 ' A' ' 85' ' ' VAL . 7.4 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 t -50.33 133.99 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m -111.41 97.4 6.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 HD21 ' CG2' ' A' ' 39' ' ' VAL . 9.1 mt -50.89 175.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -70.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.3 ttt -166.03 -149.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.86 119.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.449 ' NH2' ' H ' ' A' ' 81' ' ' ILE . 22.7 ttm105 -142.41 74.58 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 174.49 128.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 54.64 173.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 59.22 177.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 81.39 90.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 93.55 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.3 pp -128.71 176.17 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -158.44 164.61 36.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 pt -109.04 179.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 29' ' ' TYR . 7.0 p -172.52 174.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -145.53 -162.12 9.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.6 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m 60.88 167.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 62.38 97.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -176.14 155.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -63.4 103.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.44 84.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 171.2 100.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.63 88.48 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.87 115.44 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 17' ' ' VAL . 26.4 mm -45.51 139.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.562 ' CE2' HG12 ' A' ' 17' ' ' VAL . 2.8 p90 -128.46 167.62 16.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 47' ' ' PRO . 5.0 tp -58.47 121.83 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.493 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.25 -45.03 89.09 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.403 1.064 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.2 p -179.58 166.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.036 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 45' ' ' ILE . 3.7 mp -128.11 122.09 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.8 mmt -69.3 79.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 40' ' ' ALA . 22.1 pttp -39.09 128.64 1.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . 95.44 52.57 1.69 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.412 ' N ' ' HB1' ' A' ' 41' ' ' ALA . . . -152.36 -125.7 1.15 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.2 -83.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.506 ' CG1' HG13 ' A' ' 45' ' ' ILE . 2.1 t -79.91 -19.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 35' ' ' LYS . . . -71.14 -43.69 67.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.412 ' HB1' ' N ' ' A' ' 37' ' ' GLY . . . -72.13 -20.78 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -48.65 79.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.91 -145.06 4.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' ILE . 52.1 mtt180 -112.58 51.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.506 HG13 ' CG1' ' A' ' 39' ' ' VAL . 31.0 mm -42.36 164.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.6 mt-10 -133.55 165.57 35.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -81.64 16.73 18.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 50' ' ' MET . 32.4 t70 -58.65 -31.24 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.03 52.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' HA ' ' CG1' ' A' ' 85' ' ' VAL . 1.9 tm? -89.66 82.21 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.19 1.22 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.0 pt20 -137.26 151.12 48.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 55' ' ' ASN . 17.9 t -140.79 151.51 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.7 t-20 34.4 -138.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 4.37 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.529 HG12 ' CZ ' ' A' ' 59' ' ' PHE . 2.0 t -80.26 159.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 25.8 p-10 -154.97 94.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.529 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 23.4 m-85 -80.29 22.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -55.05 150.24 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 80.34 -46.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -40.02 -64.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.55 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.6 t 27.05 47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 28.7 t30 -84.59 10.11 11.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.15 21.05 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.74 24.46 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.91 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' C ' ' N ' ' A' ' 70' ' ' VAL . 2.1 t -52.32 -43.8 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -26.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 ' N ' ' C ' ' A' ' 68' ' ' VAL . 0.6 OUTLIER -104.9 -48.3 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -43.66 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -63.81 -19.14 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -78.74 -21.07 48.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.2 mm -65.59 -91.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.09 -38.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.6 t -51.79 -64.11 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.2 mt-30 -130.45 -118.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 68.9 p -50.11 -177.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.71 114.04 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 147.06 33.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.9 mt -75.94 143.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER 160.22 49.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -31.09 140.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' GLN . 93.0 m -134.19 136.92 44.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 51' ' ' LEU . 20.8 m -136.09 155.28 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.79 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.77 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 176.67 62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.68 -171.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 131.36 79.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.768 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 16.1 m -95.36 144.93 28.64 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -74.99 -175.32 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -101.82 172.13 7.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' LEU . 91.0 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -156.33 155.95 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.859 HG12 HG23 ' A' ' 68' ' ' VAL . 1.6 pp -120.17 169.55 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.2 p -157.97 168.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.561 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' VAL . 46.0 mm -46.55 139.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.4 p90 -133.85 143.04 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -45.31 124.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -59.3 -43.18 97.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.448 ' C ' HD12 ' A' ' 33' ' ' ILE . 85.6 p -179.99 163.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 30' ' ' ILE . 2.7 mp -112.69 123.05 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.0 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 46' ' ' GLU . 36.1 mm . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.1 mt-10 -127.76 161.48 55.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.664 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.49 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.93 17.56 21.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 85' ' ' VAL . 22.7 t0 -59.03 -29.64 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 79.56 48.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.908 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.7 tm? -89.53 87.94 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.94 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.49 5.96 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -134.26 154.73 51.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 83' ' ' LEU . 5.4 t -140.28 152.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 39.84 -141.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.03 2.38 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -84.17 153.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -150.88 90.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 23.1 m-85 -76.59 52.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.98 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.06 -25.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -61.92 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t 36.6 54.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.7 t30 -91.69 22.11 4.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER 46.04 25.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CA ' HD11 ' A' ' 16' ' ' ILE . 52.7 m-20 -162.87 29.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.03 -16.94 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.859 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.21 -41.04 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.16 -24.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -110.1 -46.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.02 -42.56 49.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -19.03 65.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.36 -19.19 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -68.92 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.761 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.35 -37.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 t -55.85 -62.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.5 mt-30 -133.16 -134.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 33.4 p -41.06 160.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.8 121.88 5.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 146.49 32.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 HG12 ' A' ' 75' ' ' VAL . 3.3 mt -83.0 144.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.85 45.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.897 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -32.34 146.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m -141.91 149.94 40.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.908 HG12 ' HA ' ' A' ' 51' ' ' LEU . 11.8 m -134.55 154.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -163.41 154.57 16.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.09 173.32 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.95 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.8 p -169.73 174.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.44 138.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.699 ' O ' HG12 ' A' ' 17' ' ' VAL . 26.1 p90 -130.88 142.98 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.836 HD13 HD12 ' A' ' 51' ' ' LEU . 6.0 tp -46.53 128.97 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.74 97.23 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.528 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.93 161.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.831 HD13 HG22 ' A' ' 45' ' ' ILE . 4.7 mp -129.31 135.13 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.831 HG22 HD13 ' A' ' 33' ' ' ILE . 23.6 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -134.77 170.44 11.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.03 -39.55 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.87 34.69 2.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -81.57 -28.69 33.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER 80.78 50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.2 tm? -94.3 83.55 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.46 3.99 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HG3' ' C ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -132.64 149.03 52.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 83' ' ' LEU . 25.0 t -133.51 153.37 36.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.0 t-20 38.52 -141.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 5.87 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.551 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.92 152.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -147.74 89.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.551 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 22.4 m-85 -76.13 52.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.01 -75.48 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -44.52 -28.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -56.69 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 33.64 49.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -91.56 28.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' ASN . 16.2 t0 38.85 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' ILE . 36.8 m-20 -166.62 31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -14.87 23.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 16' ' ' ILE . 2.5 t -58.81 -41.89 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.16 -24.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.14 -46.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -50.78 -40.72 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 19.2 ttt85 -66.0 -18.46 65.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.95 -19.78 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.1 mm -66.71 -92.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.58 -38.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.4 t -51.79 -60.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.22 -118.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' GLN . 64.5 p -52.4 -173.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.47 115.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.97 32.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 75' ' ' VAL . 1.4 mt -73.12 147.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.91 51.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 54' ' ' VAL . 6.7 mt -35.37 152.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.475 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 54.4 m -142.5 140.36 31.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 51' ' ' LEU . 10.4 m -137.28 153.69 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -167.5 164.23 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.763 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.4 pp -121.18 170.74 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 28' ' ' ILE . 11.6 p -165.51 173.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -44.99 136.82 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.778 . . . . 0.0 109.253 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' VAL . 6.8 m-85 -121.87 148.07 45.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.974 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -51.75 126.81 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.25 -49.29 69.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.889 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.4 p 180.0 166.78 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 32' ' ' SER . 2.7 mp -127.51 128.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.6 mt-10 -112.86 166.2 11.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.672 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -37.93 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.38 19.73 30.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 50' ' ' MET . 21.5 t70 -62.59 -24.86 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.619 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 78.0 49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -91.94 85.94 5.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.03 4.33 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -134.82 153.73 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.691 HG22 HD22 ' A' ' 83' ' ' LEU . 69.2 t -138.54 155.7 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 36.0 t30 37.68 -138.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -84.31 9.66 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 t -89.69 158.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 42.3 m-20 -150.46 88.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 24.6 m-85 -77.21 53.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.56 -55.75 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -14.83 27.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 2.5 tpp -73.19 -83.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.3 t 34.63 57.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.7 13.67 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.22 17.43 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.763 ' HA ' HD11 ' A' ' 16' ' ' ILE . 5.5 p30 -166.24 30.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 -18.01 9.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.718 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -53.24 -40.9 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -24.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 110.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.81 -48.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.82 -42.47 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -63.45 -19.13 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.43 -20.92 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.6 mm -66.86 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.26 -37.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -55.35 -63.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.5 OUTLIER -131.81 -132.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 40.8 p -41.4 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.33 121.56 4.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 145.73 31.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.799 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.769 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -80.89 146.53 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.15 48.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.691 HD22 HG22 ' A' ' 54' ' ' VAL . 6.2 mt -35.65 151.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.484 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 31.7 m -140.72 143.49 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.945 HG12 ' HA ' ' A' ' 51' ' ' LEU . 21.9 m -136.11 153.06 31.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.541 1.15 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -164.78 156.01 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.796 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -116.2 174.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.2 p -167.38 172.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.563 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.1 mm -49.32 138.47 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.665 ' O ' HG12 ' A' ' 17' ' ' VAL . 5.8 p90 -132.39 143.59 49.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.954 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -47.19 122.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.83 -43.93 87.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 p -179.97 169.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 45' ' ' ILE . 5.4 mp -124.22 134.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.3 mm . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.1 mt-10 -117.96 163.85 22.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.618 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.94 15.12 33.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -54.39 -31.23 54.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.374 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 81.05 46.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.954 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -86.34 81.48 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.911 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.41 1.67 7.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.528 ' HG3' ' C ' ' A' ' 84' ' ' THR . 1.2 pt20 -132.57 153.44 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.4 t -139.32 153.94 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 38.1 -141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.83 2.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.9 153.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -151.72 89.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.7 m-85 -77.39 51.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.2 mm-40 -65.18 -75.75 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.71 -29.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.645 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.05 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 35.43 49.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' N ' ' A' ' 66' ' ' ASP . 8.5 t30 -91.15 29.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 t0 39.77 29.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 64' ' ' ASN . 34.3 m-20 -163.21 28.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -15.09 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.796 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.01 -41.79 87.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -25.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -108.89 -46.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.58 -42.53 44.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.12 -20.18 63.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -76.74 -22.81 53.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.7 mm -66.71 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.74 -38.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -53.26 -62.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.3 mt-30 -137.9 -129.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 81.7 p -40.27 160.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.29 118.72 4.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.99 145.97 32.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.6 mt -79.65 145.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 155.2 46.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.412 1.07 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.865 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.05 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.528 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 53.5 m -136.2 147.69 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 51' ' ' LEU . 1.2 m -142.17 155.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.6 1.188 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.497 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.92 154.45 32.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.922 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.86 172.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -163.32 173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.934 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.0 mm -47.35 140.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.739 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 15.4 p90 -132.02 151.3 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 33' ' ' ILE . 4.4 tp -52.64 120.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.99 -45.24 72.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.486 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m 179.98 166.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 0.723 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 30' ' ' ILE . 2.7 mp -113.71 123.99 69.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 HD13 ' A' ' 33' ' ' ILE . 19.4 mm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.9 mt-10 -129.76 161.39 59.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.96 -34.68 3.68 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.51 18.43 14.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.8 OUTLIER -57.5 -30.96 65.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 0.816 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 3.0 tpp 85.62 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 83' ' ' LEU . 2.4 tm? -88.57 83.55 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.947 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.25 1.49 5.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.665 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.6 pt20 -137.49 153.64 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.895 HG22 ' HA ' ' A' ' 83' ' ' LEU . 13.8 t -139.75 153.01 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.3 t-20 37.86 -140.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.73 0.9 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.73 150.09 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -150.09 88.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.658 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 24.0 m-85 -80.19 50.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.3 mt-10 -62.08 -74.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.33 -28.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.658 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.13 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.0 t 31.0 52.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -90.95 27.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 41.0 29.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 64' ' ' ASN . 7.6 p30 -166.79 30.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.168 . . . . 0.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -14.65 22.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.922 HG23 HG12 ' A' ' 16' ' ' ILE . 2.2 t -56.14 -42.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -42.91 -25.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.46 -47.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.45 -43.41 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -62.5 -18.93 62.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 pt-20 -78.81 -21.82 47.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.233 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.41 -91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -38.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.4 t -51.74 -61.64 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -133.11 -121.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLN . 23.5 p -49.87 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.13 117.77 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.562 1.164 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 148.26 35.17 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 75' ' ' VAL . 2.8 mt -78.66 144.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER 155.6 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -30.42 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' GLN . 85.3 m -133.64 143.25 48.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.073 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 51' ' ' LEU . 16.8 m -138.34 155.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.45 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -155.39 165.59 36.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.3 pp -129.22 176.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.785 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.2 p -167.84 168.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' VAL . 36.4 mm -46.07 137.86 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.553 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 21.1 p90 -132.31 142.99 49.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.862 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -43.56 123.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -46.31 92.26 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.413 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -179.92 169.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.657 HD13 HG22 ' A' ' 45' ' ' ILE . 4.4 mp -126.42 129.07 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.657 HG22 HD13 ' A' ' 33' ' ' ILE . 18.4 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -127.44 162.48 48.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -40.04 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.808 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.74 36.75 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.6 t0 -81.95 -24.09 35.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.953 ' SD ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 77.24 50.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.93 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.0 tm? -92.31 84.97 5.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.957 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.56 5.43 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.52 HE21 HG22 ' A' ' 84' ' ' THR . 5.5 pt20 -134.28 153.1 52.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.824 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.3 t -139.45 154.82 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 14.9 t30 38.29 -142.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -77.23 2.19 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.18 154.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -154.57 90.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CG ' ' HE2' ' A' ' 62' ' ' MET . 22.5 m-85 -78.69 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.4 mm-40 -64.93 -74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.7 -27.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.554 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -60.85 -84.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 34.98 57.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 9.93 18.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.9 t0 64.32 19.6 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.817 ' HA ' HD11 ' A' ' 16' ' ' ILE . 16.8 p30 -162.33 29.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.82 -18.25 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -55.05 -39.68 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.86 -24.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.696 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -107.65 -47.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -43.77 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.8 ttp180 -61.38 -20.83 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.382 1.051 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.696 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -76.74 -20.57 56.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.58 -92.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.864 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.85 -38.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.9 t -53.54 -60.94 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.0 mt-30 -130.42 -121.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' GLN . 31.9 p -51.43 -174.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.348 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.423 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.12 116.84 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.06 150.24 37.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.864 HD11 HG12 ' A' ' 75' ' ' VAL . 1.6 mt -77.77 144.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 158.54 49.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.34 145.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.52 HG22 HE21 ' A' ' 53' ' ' GLN . 56.1 m -138.36 142.92 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -136.54 153.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.953 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' LEU . 38.6 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.43 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.694 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' GLY . 59.5 p -150.89 152.97 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.929 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.83 171.71 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.2 p -163.29 170.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.085 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 34.3 mm -44.21 138.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.644 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.8 p90 -129.98 142.94 50.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.917 HD13 HD12 ' A' ' 51' ' ' LEU . 5.6 tp -46.76 126.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -64.05 -40.63 98.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.716 ' C ' HD12 ' A' ' 33' ' ' ILE . 84.1 p -179.69 163.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.53 120.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.711 HG22 HD13 ' A' ' 33' ' ' ILE . 9.8 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.3 mt-10 -131.15 163.7 47.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.736 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.01 -37.31 2.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.29 30.24 5.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -76.74 -26.05 54.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.28 48.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.975 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.1 tm? -92.54 84.78 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.76 4.21 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.585 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.0 pt20 -133.41 155.79 48.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.1 t -139.96 150.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 28.5 t30 39.23 -139.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.1 3.17 18.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.501 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -85.8 147.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -147.29 88.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.662 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.1 m-85 -79.6 49.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -65.14 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.62 -25.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.662 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -58.59 -76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.08 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 1.4 t 30.63 51.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.7 t-20 -91.05 23.18 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 42.9 27.59 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 64' ' ' ASN . 21.6 m-20 -164.92 29.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.43 -16.5 15.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.929 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -56.22 -43.46 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.37 -25.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -108.96 -43.72 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -39.11 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.64 -16.32 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -82.82 -19.99 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -64.78 -89.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.657 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.9 -37.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.368 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -54.89 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -135.06 -131.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 53.7 p -40.04 160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.7 4.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.03 145.51 31.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -82.53 145.19 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 83' ' ' LEU . 3.8 t 156.79 47.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.845 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -28.43 139.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.453 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 57.6 m -134.38 141.39 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.975 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.8 m -134.12 154.38 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 47.8 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -167.15 155.61 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.887 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -109.13 172.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.987 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.4 p -163.31 179.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.703 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' VAL . 40.1 mm -49.24 135.88 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 27' ' ' GLY . 2.9 m-85 -119.1 163.87 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 33' ' ' ILE . 5.3 tp -64.55 122.29 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.69 -49.76 56.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.92 164.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.875 HD13 HG22 ' A' ' 45' ' ' ILE . 4.5 mp -128.25 120.67 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.875 HG22 HD13 ' A' ' 33' ' ' ILE . 15.3 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.4 mt-10 -134.88 161.15 65.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -34.08 4.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.05 17.06 53.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.753 ' OD1' HG11 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -57.37 -25.34 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.2 ttt 81.59 54.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.964 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -92.82 85.19 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.923 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.46 5.77 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.6 pt20 -138.07 148.37 44.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 83' ' ' LEU . 19.1 t -137.81 152.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 23.0 t30 38.68 -138.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.456 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 4.7 p-10 -83.25 7.63 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -85.83 160.22 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.0 p30 -152.4 90.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 21.8 m-85 -80.3 52.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.8 mt-10 -75.56 -51.14 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -10.17 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.4 ttp -77.34 -84.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 31.47 40.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 22.1 t30 -58.64 -66.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.45 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.887 ' HA ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -139.46 47.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.41 -24.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 16' ' ' ILE . 1.5 t -42.8 -43.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -41.53 -26.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -106.2 -48.95 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.7 -43.47 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 4.9 ttt85 -62.45 -19.32 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt-20 -78.48 -20.64 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.3 mm -63.8 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.962 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.98 -38.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.7 t -53.84 -62.45 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.5 mt-30 -127.78 -118.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.6 p -52.19 -173.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.0 115.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.04 149.89 37.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.962 HD11 HG12 ' A' ' 75' ' ' VAL . 2.3 mt -76.68 144.47 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 157.98 47.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 0.0 110.036 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -33.94 141.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' GLN . 99.5 m -135.07 139.05 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.964 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.6 m -137.03 155.54 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.0 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' GLY . 54.0 p -163.76 155.85 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.982 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -114.21 171.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.5 p -158.91 169.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.2 mm -49.04 140.86 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . 10.2 p90 -136.6 154.02 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.5 tp -52.45 119.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.35 -46.04 81.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.4 p 179.97 169.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' CD1' HG22 ' A' ' 45' ' ' ILE . 5.2 mp -122.31 138.32 52.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 29.9 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -120.96 162.03 37.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.619 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.67 14.38 36.66 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -53.81 -30.95 47.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.604 0.826 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER 82.89 49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.787 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.3 tm? -86.05 83.33 7.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.28 4.64 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.502 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.7 pt20 -135.68 142.56 45.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.821 HG12 HD22 ' A' ' 55' ' ' ASN . 75.7 t -138.18 148.82 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.821 HD22 HG12 ' A' ' 54' ' ' VAL . 8.7 p30 42.64 -139.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -82.35 6.79 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.81 150.33 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -146.83 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 24.0 m-85 -79.09 50.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.18 -45.02 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -0.95 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -86.11 -73.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.944 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.543 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.4 t 28.33 46.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.4 t30 -91.59 26.78 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t0 39.88 30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' ASN . 25.0 m-20 -163.92 30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -15.04 21.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 16' ' ' ILE . 3.0 t -59.71 -42.84 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -26.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -107.52 -44.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD21 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -50.38 -41.57 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.2 ttt180 -64.14 -17.62 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -80.33 -20.09 45.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.456 HD13 ' HA3' ' A' ' 79' ' ' GLY . 1.8 mm -66.92 -92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.74 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.88 -38.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 4.1 t -51.24 -59.37 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -135.73 -118.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 65.2 p -51.6 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 77.03 115.09 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.76 31.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.74 HD11 HG12 ' A' ' 75' ' ' VAL . 1.5 mt -75.64 145.6 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 157.05 52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -35.71 145.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.487 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 76.0 m -141.26 139.94 33.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 51' ' ' LEU . 2.3 m -138.21 156.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.218 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 p -160.19 154.92 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.921 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.66 172.82 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 p -163.79 172.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.955 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.5 mm -53.04 139.01 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.679 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 24.7 p90 -131.11 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.906 HD13 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -50.09 127.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.19 94.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.556 ' C ' HD12 ' A' ' 33' ' ' ILE . 2.8 m -178.88 157.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 30' ' ' ILE . 2.3 mp -109.86 121.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 16.4 mm . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -121.65 163.22 32.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.08 -37.34 2.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 21.59 11.3 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.608 ' OD1' HG11 ' A' ' 85' ' ' VAL . 9.0 t70 -63.31 -27.89 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 81.59 52.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.906 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -91.6 86.82 6.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.97 4.19 5.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.38 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -135.41 154.08 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 12.8 t -140.12 150.97 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 16.6 t30 42.08 -140.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -81.04 6.57 13.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.94 155.15 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -147.92 89.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.623 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 15.6 m-85 -79.5 51.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.82 -55.08 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.19 -14.85 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 1.2 tpp -67.07 -73.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.4 t 24.55 51.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 66' ' ' ASP . 7.6 t30 -92.03 25.88 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.53 29.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' ASN . 5.7 p30 -170.57 32.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.71 26.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.921 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -57.46 -42.21 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -43.42 -25.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.734 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.47 -44.81 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.509 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -50.97 -41.57 59.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.8 OUTLIER -65.59 -17.92 64.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -80.89 -20.05 43.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.5 mm -65.03 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.905 HG12 HD11 ' A' ' 81' ' ' ILE . 3.3 m -38.22 -43.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -47.3 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.9 mt-30 -132.29 -118.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 77' ' ' GLN . 63.5 p -52.12 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.37 117.88 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -74.99 147.35 33.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.905 HD11 HG12 ' A' ' 75' ' ' VAL . 2.4 mt -78.1 145.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.82 45.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.932 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.36 144.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.474 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 51.5 m -136.53 144.77 44.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.6 m -136.77 153.89 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 95.3 t . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.445 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -163.06 165.41 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.069 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.894 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -115.68 169.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.8 p -157.23 171.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 17' ' ' VAL . 21.2 mm -50.96 137.59 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.616 ' CE2' HG13 ' A' ' 17' ' ' VAL . 1.3 p90 -126.49 163.41 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 47' ' ' PRO . 5.5 tp -55.45 124.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.495 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.75 -48.56 76.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.96 158.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.96 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 32' ' ' SER . 1.4 mp -107.84 119.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.4 mt-10 -126.39 162.36 46.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.82 2.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.21 11.11 38.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -48.7 -33.5 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.593 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 84.57 48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.967 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.2 tm? -81.54 88.65 6.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.966 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.7 5.88 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 84' ' ' THR . 1.3 pt20 -137.77 144.56 41.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 83' ' ' LEU . 73.4 t -142.02 151.28 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.754 HD21 HG23 ' A' ' 57' ' ' VAL . 15.9 p-10 33.92 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.95 8.97 7.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.754 HG23 HD21 ' A' ' 55' ' ' ASN . 2.4 t -87.4 155.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -145.2 88.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.485 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 18.1 m-85 -80.0 54.51 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.55 -69.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -24.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.485 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 tpp -64.04 -85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 63' ' ' SER . 3.5 t 35.83 49.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.73 155.54 16.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 2.4 t0 -75.63 54.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 2.7 p30 156.21 43.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.56 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.894 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -58.35 -39.27 73.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -44.5 -23.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.694 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -103.68 -49.79 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -49.09 -43.55 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.75 -20.26 63.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.694 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -76.22 -21.53 56.31 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -66.46 -92.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 1.106 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.64 -37.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 11.4 t -55.59 -66.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.2 mt-30 -131.04 -131.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 41.4 p -41.7 158.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 110.436 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.71 117.04 3.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.07 149.94 37.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 1.106 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -81.97 145.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.4 50.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.965 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.728 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -37.13 145.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 88.1 m -146.1 143.26 29.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.967 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.0 m -130.8 155.46 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.442 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.5 156.55 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.951 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.688 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.4 173.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.966 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.0 p -161.36 175.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.654 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.8 mm -44.92 139.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.747 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.8 p90 -135.16 152.05 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.685 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.7 tp -49.85 124.89 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.34 -46.13 93.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.5 m -177.08 164.87 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -118.48 120.77 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 46' ' ' GLU . 43.4 mm . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 45' ' ' ILE . 1.7 mt-10 -120.28 163.85 26.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.0 -37.77 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 33.14 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -75.77 -29.05 58.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 83.37 45.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.859 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.4 tm? -86.45 87.48 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.357 1.036 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -135.39 9.03 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -137.19 152.0 49.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 83' ' ' LEU . 25.5 t -141.07 155.05 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 39.84 -142.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.19 7.09 10.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -88.1 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.71 90.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 24.9 m-85 -75.93 51.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.66 -61.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.92 -18.01 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.602 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.46 -74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 27.79 53.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' ASP . 6.5 t-20 -91.6 26.01 2.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 65.5 t0 42.44 28.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' ILE . 45.4 m-20 -167.44 31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.76 -14.77 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.688 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -22.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -109.46 -45.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.59 -41.71 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.9 OUTLIER -65.39 -19.16 65.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.26 -18.68 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.13 -93.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.25 -38.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.8 t -52.26 -58.51 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.6 mt-30 -134.43 -119.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' GLN . 15.1 p -51.37 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.19 119.37 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -75.71 143.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.45 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.857 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.79 147.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 53.7 m -139.77 144.96 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.859 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.6 m -135.8 152.45 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -157.81 162.83 38.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.947 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -124.7 171.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.1 p -161.36 169.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.55 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.9 mm -52.12 138.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.658 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 23.5 p90 -131.23 144.24 51.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.893 HD13 HD12 ' A' ' 51' ' ' LEU . 6.1 tp -46.51 126.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 109.223 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.08 94.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.61 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m -178.6 159.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.037 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 30' ' ' ILE . 2.0 mp -111.48 122.19 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.6 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.2 mt-10 -126.27 162.33 46.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.04 -39.66 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.43 35.41 3.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 50' ' ' MET . 42.3 t0 -80.33 -25.96 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.59 53.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.893 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -94.87 90.34 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.948 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -133.46 9.1 3.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 3.9 pt20 -135.59 152.76 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.749 HG23 HD21 ' A' ' 71' ' ' LEU . 78.7 t -137.04 155.37 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' VAL . 23.8 t30 36.08 -140.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.24 5.04 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -84.83 156.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -152.1 89.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.638 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.7 m-85 -77.96 51.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -66.15 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -51.17 -22.38 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.638 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.93 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.3 t 34.15 49.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.9 t30 -90.4 28.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 39.68 29.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 64' ' ' ASN . 6.6 p30 -162.92 28.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.95 -14.5 23.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.947 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -59.98 -41.63 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -25.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.621 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.08 -44.26 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.749 HD21 HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -52.45 -40.85 62.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.3 ttp180 -65.89 -17.81 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.621 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -79.75 -21.27 44.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -68.15 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -39.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.7 t -52.61 -64.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.7 mt-30 -132.81 -129.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 69.0 p -43.0 166.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.19 120.42 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.432 1.083 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.01 145.08 30.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.7 mt -78.59 146.83 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.5 49.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.654 HD22 HG22 ' A' ' 54' ' ' VAL . 6.3 mt -35.69 152.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 52.1 m -141.16 144.23 34.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 51' ' ' LEU . 4.0 m -133.18 152.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.477 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.422 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -171.82 159.91 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.008 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -112.17 173.58 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.4 p -160.51 168.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.3 mm -53.61 137.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.651 ' CE2' HG13 ' A' ' 17' ' ' VAL . 8.8 p90 -127.2 158.55 36.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.875 HD13 HD12 ' A' ' 51' ' ' LEU . 4.8 tp -54.47 126.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -63.7 -43.87 97.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 m 179.84 157.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.839 HD13 HG22 ' A' ' 45' ' ' ILE . 4.4 mp -125.4 129.2 72.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.839 HG22 HD13 ' A' ' 33' ' ' ILE . 16.5 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.4 mt-10 -127.16 162.34 48.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.66 23.0 9.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -65.51 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 83.37 48.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.4 tm? -85.2 81.09 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.72 7.75 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.2 pt20 -136.51 148.71 47.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 83' ' ' LEU . 24.1 t -140.46 150.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.5 t-20 35.49 -139.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.67 4.89 14.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.13 157.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.407 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 8.1 m120 -151.34 89.88 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 21.2 m-85 -82.98 54.54 2.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.547 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.1 mt-10 -75.84 -52.44 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -11.21 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.7 tpp -73.1 -83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.4 t 30.22 42.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' MET . 39.7 t30 -65.98 -66.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 8.7 t0 166.09 -37.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.33 46.78 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.09 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.008 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -51.23 -41.16 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -43.5 -24.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -106.61 -48.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.01 -41.52 47.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 3.7 tpt180 -64.68 -18.97 65.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -79.06 -21.32 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.472 HD13 ' HA3' ' A' ' 79' ' ' GLY . 3.2 mm -63.34 -92.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.76 -39.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 8.1 t -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.0 mt-30 -126.37 -116.52 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 77' ' ' GLN . 73.5 p -50.62 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.472 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 71.65 115.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.01 147.68 34.22 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 75' ' ' VAL . 4.9 mt -73.49 144.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 4.6 t 155.69 44.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.803 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' GLN . 54.8 m -140.87 146.93 38.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.88 HG12 ' HA ' ' A' ' 51' ' ' LEU . 19.1 m -133.48 153.38 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.358 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -161.18 158.61 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.836 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.43 174.51 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.935 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.7 p -159.25 170.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.8 mm -50.35 139.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 17' ' ' VAL . 3.7 p90 -134.01 160.52 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.973 HD13 HD12 ' A' ' 51' ' ' LEU . 4.6 tp -54.55 121.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.36 -49.6 63.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 33' ' ' ILE . 11.3 p 179.92 170.77 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 110.057 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.8 mp -126.84 138.09 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mtm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 10.5 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mt-10 -126.69 162.55 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.587 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.96 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.809 ' OD1' HG11 ' A' ' 85' ' ' VAL . 17.0 t70 -54.09 -30.38 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 0.779 . . . . 0.0 109.306 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER 82.33 50.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.34 82.7 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.971 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.9 1.76 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.648 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.8 pt20 -135.88 154.25 51.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.846 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.5 t -140.39 151.16 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 5.5 t-20 38.89 -140.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 0.38 21.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.21 147.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -145.88 89.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 21.4 m-85 -78.15 46.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.7 mm-40 -57.13 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 m-20 -39.94 -44.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.501 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -46.9 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 45.47 23.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 62' ' ' MET . 3.9 t-20 -50.79 163.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 33.5 t70 -83.8 44.92 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 160.45 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.75 -14.64 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.836 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -60.39 -40.27 83.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.69 -49.75 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.828 HD11 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -48.83 -42.92 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.45 -21.87 64.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.723 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -74.84 -19.52 60.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.5 mm -69.27 -91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.86 -37.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -53.23 -57.93 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.9 mt-30 -137.02 -123.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 72.7 p -46.52 174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.25 121.36 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 154.47 42.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 75' ' ' VAL . 3.6 mt -85.71 146.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 2.5 p 151.82 45.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.846 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.72 144.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.468 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 85.3 m -130.76 142.3 50.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.857 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.8 m -136.23 154.93 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.506 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -157.45 156.17 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.942 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -121.89 174.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 29' ' ' TYR . 8.5 p -169.66 174.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 35.3 mm -60.9 131.62 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.926 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.7 m-85 -124.04 143.62 50.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.081 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -52.12 120.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.09 35.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.7 p -179.83 168.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.786 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 32' ' ' SER . 1.8 mp -113.44 122.15 67.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 7.7 mm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.7 mt-10 -123.04 165.24 22.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.581 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -31.47 6.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.17 17.85 35.46 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.38 -32.34 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.73 48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.081 HD12 HD13 ' A' ' 30' ' ' ILE . 1.5 tm? -87.3 77.25 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.54 -0.08 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.7 pt20 -134.95 155.08 51.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 18.7 t -140.32 153.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.4 t-20 37.77 -140.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 2.39 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.4 153.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -151.66 89.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 23.1 m-85 -80.2 48.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 52' ' ' LEU . 5.8 mm-40 -63.04 -68.68 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.38 -31.03 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.645 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -57.83 -81.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 32.58 53.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ASP . 16.3 t30 -91.63 26.49 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 28' ' ' ILE . 54.1 t0 45.52 26.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.082 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' HA ' HD11 ' A' ' 16' ' ' ILE . 4.4 p30 -164.31 29.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.61 5.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -54.1 -42.52 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -25.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.59 -47.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.608 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -49.34 -43.67 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.46 63.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -77.21 -19.53 56.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.215 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.6 mm -67.89 -91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.65 -37.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.4 -61.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.39 -130.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 77.5 p -43.21 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.49 115.56 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.0 146.69 32.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -78.24 146.76 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.6 m 154.14 47.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -30.09 142.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.465 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 87.1 m -132.03 141.52 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 51' ' ' LEU . 5.3 m -137.32 155.13 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.536 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -159.54 157.72 30.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.823 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -112.04 175.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.906 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -166.85 172.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.56 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.24 134.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.256 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.68 ' CE2' HG13 ' A' ' 17' ' ' VAL . 11.5 p90 -127.2 159.15 35.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.486 1.116 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 51' ' ' LEU . 5.8 tp -55.29 123.93 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -59.96 -43.69 97.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.518 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 180.0 160.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.954 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.785 HD11 HG21 ' A' ' 30' ' ' ILE . 4.3 mp -123.52 121.02 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.739 HG22 HD13 ' A' ' 33' ' ' ILE . 31.5 mm . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -133.8 161.51 63.3 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.01 -34.42 3.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.78 19.6 19.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -60.87 -29.89 69.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.32 48.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.27 84.52 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.01 0.49 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.5 pt20 -131.6 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.8 t -139.97 150.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.5 t-20 34.7 -137.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -80.86 4.14 20.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 1.8 t -80.11 160.17 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 35.9 m120 -155.56 94.44 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.4 m-85 -81.23 22.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -53.58 152.36 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.3 t-20 77.89 -50.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -35.82 -64.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 27.25 54.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.9 12.33 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.92 20.72 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -164.1 29.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -14.71 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.823 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -55.73 -41.26 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -25.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.41 -47.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -49.75 -43.18 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.8 tpt180 -63.12 -19.02 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -78.78 -20.56 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.453 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.2 mm -65.76 -92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.54 -38.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.9 t -51.97 -62.56 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -130.71 -116.74 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.4 p -52.58 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.453 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 70.93 115.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 148.59 35.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.956 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -76.48 146.25 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 3.5 t 155.32 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.915 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -33.44 145.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 91.0 m -140.02 143.29 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.936 HG12 ' HA ' ' A' ' 51' ' ' LEU . 14.9 m -134.88 153.94 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.268 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 23.2 p -159.8 152.26 21.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.821 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -110.01 176.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.832 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.1 p -167.06 170.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.439 1.087 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -51.51 140.38 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.4 p90 -131.38 142.89 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.783 HG21 HD11 ' A' ' 33' ' ' ILE . 5.2 tp -48.27 123.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.37 -43.4 95.74 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 33' ' ' ILE . 3.9 p -179.0 151.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.827 ' N ' HD12 ' A' ' 33' ' ' ILE . 1.8 mp -114.3 123.16 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG21 HG12 ' A' ' 33' ' ' ILE . 40.5 mm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -127.51 164.62 35.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.0 Cg_endo -75.06 -34.79 3.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.77 22.93 15.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -64.99 -26.06 68.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER 85.71 54.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 83' ' ' LEU . 1.5 tm? -88.35 78.67 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.24 0.8 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' THR . 3.2 pt20 -138.16 152.22 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 83' ' ' LEU . 42.1 t -140.32 157.38 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.0 t-20 39.17 -141.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 7.93 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.55 159.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 76.9 m-20 -156.19 90.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.592 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.4 m-85 -77.32 52.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.63 -65.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -17.95 7.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.592 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -70.62 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 26.46 52.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.957 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -91.31 28.76 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 41.09 28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 16' ' ' ILE . 23.8 m-20 -166.95 30.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -14.75 25.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.88 -38.9 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -22.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -110.38 -46.91 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.03 -41.89 48.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -64.12 -19.61 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.21 -19.53 53.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.59 -92.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.958 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.29 -38.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.2 t -52.05 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -133.67 -118.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.223 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 50.7 p -52.06 -173.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.6 118.22 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.57 35.33 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.958 HD11 HG12 ' A' ' 75' ' ' VAL . 3.0 mt -77.17 146.46 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.4 m 153.36 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.89 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.12 144.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 53' ' ' GLN . 50.5 m -130.24 148.81 52.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 51' ' ' LEU . 3.0 m -144.58 155.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.5 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.444 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.679 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.28 152.37 30.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -107.42 177.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.2 p -173.36 175.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.624 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' VAL . 20.7 mm -53.96 136.59 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 2.1 p90 -137.07 158.94 43.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 33' ' ' ILE . 4.3 tp -54.8 119.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.88 -43.97 96.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.532 ' C ' HD12 ' A' ' 33' ' ' ILE . 92.6 p 179.96 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.972 HD13 ' CG2' ' A' ' 45' ' ' ILE . 4.7 mp -130.41 127.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 mmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.972 ' CG2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.661 ' N ' HG23 ' A' ' 45' ' ' ILE . 6.3 mt-10 -142.91 160.35 53.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.651 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.53 31.78 3.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -76.59 -30.83 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.79 47.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.948 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -85.88 81.93 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.46 1.66 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.647 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -134.25 151.57 51.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 83' ' ' LEU . 7.5 t -139.9 152.37 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.1 t-20 36.14 -139.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -80.11 4.34 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.01 160.43 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 84.6 m-20 -156.11 92.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.669 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.9 m-85 -81.46 38.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 2.5 mm-40 -69.02 147.98 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER 81.27 -44.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.589 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -38.81 -61.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 22.66 58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -88.73 22.48 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 48.32 24.23 0.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.1 p30 -173.0 34.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.6 -17.29 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.65 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -57.07 -38.14 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -23.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -104.85 -49.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.0 -43.45 40.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -61.6 -20.83 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -76.18 -20.61 57.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.0 mm -66.51 -92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.859 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.44 -38.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.6 t -52.55 -60.6 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -132.14 -119.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 16.4 p -52.09 -173.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.82 114.63 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.03 151.84 39.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.859 HD11 HG12 ' A' ' 75' ' ' VAL . 1.4 mt -77.97 147.22 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.5 m 155.91 50.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.017 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.926 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -32.61 141.8 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 98.0 m -137.46 138.91 40.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -133.23 151.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.3 pp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -158.44 164.61 36.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.751 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pt -109.04 179.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.0 p -172.52 174.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 1.007 HG23 ' O ' ' A' ' 17' ' ' VAL . 26.4 mm -45.51 139.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.65 ' CE2' HG13 ' A' ' 17' ' ' VAL . 2.8 p90 -128.46 167.62 16.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 33' ' ' ILE . 5.0 tp -58.47 121.83 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.494 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.25 -45.03 89.09 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.403 1.064 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 33' ' ' ILE . 94.2 p -179.58 166.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.11 122.09 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.736 HG22 HD13 ' A' ' 33' ' ' ILE . 31.0 mm . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.6 mt-10 -133.55 165.57 35.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.64 16.73 18.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 85' ' ' VAL . 32.4 t70 -58.65 -31.24 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.03 52.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.9 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.9 tm? -89.66 82.21 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.961 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.19 1.22 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.0 pt20 -137.26 151.12 48.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 83' ' ' LEU . 17.9 t -140.79 151.51 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.7 t-20 34.4 -138.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 4.37 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.0 t -80.26 159.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 25.8 p-10 -154.97 94.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.778 ' HE2' HD12 ' A' ' 71' ' ' LEU . 23.4 m-85 -80.29 22.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -55.05 150.24 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 80.34 -46.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -40.02 -64.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.55 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.6 t 27.05 47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 28.7 t30 -84.59 10.11 11.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' OD1' HD11 ' A' ' 28' ' ' ILE . 6.2 m-20 52.15 21.05 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.74 24.46 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.91 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -52.32 -43.8 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -26.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.9 -48.3 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.778 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.72 -43.66 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -63.81 -19.14 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -78.74 -21.07 48.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 78' ' ' THR . 2.2 mm -65.59 -91.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.861 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.09 -38.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.6 t -51.79 -64.11 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.2 mt-30 -130.45 -118.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 68.9 p -50.11 -177.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.71 114.04 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -75.02 147.06 33.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.861 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -75.94 143.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER 160.22 49.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.852 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.09 140.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' GLN . 93.0 m -134.19 136.92 44.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 51' ' ' LEU . 20.8 m -136.09 155.28 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.975 ' N ' HG22 ' A' ' 85' ' ' VAL . 4.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' LEU . 91.0 t -143.69 135.22 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -106.11 96.67 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD13 ' CD ' ' A' ' 7' ' ' GLU . 4.6 mt -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -134.12 109.14 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.5 mtt 60.55 125.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.686 ' CD ' HD13 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -158.26 -47.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 12.0 mtm105 -40.29 140.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t60 78.83 -60.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -48.35 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.617 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.92 154.5 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 138.83 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 34' ' ' MET . . . -120.99 83.31 0.36 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -119.46 171.84 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -156.33 155.95 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.859 HG12 HG23 ' A' ' 68' ' ' VAL . 1.6 pp -120.17 169.55 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.2 p -157.97 168.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.561 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -136.61 -167.54 11.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -164.44 -64.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.275 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER 164.82 140.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -102.54 142.96 32.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -175.12 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.7 ttt180 -162.14 115.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . 36.23 61.9 0.78 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 162.51 122.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 20' ' ' SER . . . 149.86 -42.33 0.79 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.35 119.17 4.57 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' VAL . 46.0 mm -46.55 139.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.4 p90 -133.85 143.04 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -45.31 124.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -59.3 -43.18 97.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.448 ' C ' HD12 ' A' ' 33' ' ' ILE . 85.6 p -179.99 163.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.671 HG22 ' H ' ' A' ' 35' ' ' LYS . 2.7 mp -112.69 123.05 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 3.7 mmt -41.93 -26.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.825 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 0.1 OUTLIER 62.25 20.38 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -63.57 -114.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.8 -6.07 6.14 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.21 -88.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG1' HG13 ' A' ' 45' ' ' ILE . 15.2 t -68.58 -16.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.825 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -72.2 -47.6 49.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.3 -26.73 63.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.9 -48.59 81.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.32 -130.91 2.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' ILE . 24.5 mtp180 -121.8 55.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.475 HG13 ' CG1' ' A' ' 39' ' ' VAL . 36.1 mm -41.85 163.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.1 mt-10 -127.76 161.48 55.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.664 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.49 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.93 17.56 21.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 85' ' ' VAL . 22.7 t0 -59.03 -29.64 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 79.56 48.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.908 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.7 tm? -89.53 87.94 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.94 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.49 5.96 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' THR . 0.5 OUTLIER -134.26 154.73 51.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 83' ' ' LEU . 5.4 t -140.28 152.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 39.84 -141.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.03 2.38 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -84.17 153.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -150.88 90.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 23.1 m-85 -76.59 52.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.98 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.06 -25.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -61.92 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t 36.6 54.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.7 t30 -91.69 22.11 4.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER 46.04 25.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CA ' HD11 ' A' ' 16' ' ' ILE . 52.7 m-20 -162.87 29.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.03 -16.94 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.859 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.21 -41.04 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.16 -24.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -110.1 -46.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.02 -42.56 49.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -19.03 65.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.36 -19.19 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -68.92 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.761 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.35 -37.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 t -55.85 -62.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.5 mt-30 -133.16 -134.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 33.4 p -41.06 160.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.8 121.88 5.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 146.49 32.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 HG12 ' A' ' 75' ' ' VAL . 3.3 mt -83.0 144.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.85 45.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.897 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -32.34 146.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 53' ' ' GLN . 31.2 m -141.91 149.94 40.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.975 HG22 ' N ' ' A' ' 1' ' ' THR . 11.8 m -134.55 154.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.75 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.492 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 54.22 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.5 118.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.518 ' CD2' ' O ' ' A' ' 89' ' ' TRP . 49.2 p-90 -43.11 101.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -133.82 149.96 73.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 92' ' ' THR . 1.9 m -130.09 85.12 58.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 94' ' ' ARG . 18.1 Cg_endo -75.06 75.21 3.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER 28.26 52.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.8 126.35 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.7 m -99.93 95.24 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.941 HD11 HG22 ' A' ' 39' ' ' VAL . 5.3 mt -60.3 177.54 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -97.81 159.46 14.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.1 ttp 60.88 170.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -138.43 167.19 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' N ' HD12 ' A' ' 81' ' ' ILE . 4.3 mmm180 43.86 94.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.11 105.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -84.89 114.82 22.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -157.6 156.14 31.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.697 HD13 ' N ' ' A' ' 13' ' ' GLY . 2.1 tm? 73.51 147.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.697 ' N ' HD13 ' A' ' 12' ' ' LEU . . . -99.09 117.27 5.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -117.35 171.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -163.41 154.57 16.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.09 173.32 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.95 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.8 p -169.73 174.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -141.05 -162.34 9.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.85 -55.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 m 44.72 89.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.08 -58.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.46 164.72 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -54.86 129.56 37.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.69 -153.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.3 t70 45.44 90.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -120.43 167.18 13.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.14 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.05 97.9 0.17 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.44 138.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.699 ' O ' HG12 ' A' ' 17' ' ' VAL . 26.1 p90 -130.88 142.98 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.836 HD13 HD12 ' A' ' 51' ' ' LEU . 6.0 tp -46.53 128.97 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.74 97.23 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.528 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.93 161.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.831 HD13 HG22 ' A' ' 45' ' ' ILE . 4.7 mp -129.31 135.13 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.8 mmt -57.44 83.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.783 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -39.28 144.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 65.99 3.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -148.47 -125.7 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . . . -86.34 -74.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.208 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.941 HG22 HD11 ' A' ' 4' ' ' LEU . 28.9 t -79.9 -22.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.783 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -70.14 -46.86 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -74.0 -13.33 60.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -61.66 -53.07 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -162.73 47.28 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 1.2 mtp180 35.33 54.55 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 0.772 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.831 HG22 HD13 ' A' ' 33' ' ' ILE . 23.6 mm -43.3 164.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -134.77 170.44 11.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.03 -39.55 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.876 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -83.87 34.69 2.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -81.57 -28.69 33.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER 80.78 50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.2 tm? -94.3 83.55 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.46 3.99 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HG3' ' C ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -132.64 149.03 52.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 83' ' ' LEU . 25.0 t -133.51 153.37 36.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.0 t-20 38.52 -141.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 5.87 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.551 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.92 152.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -147.74 89.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.551 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 22.4 m-85 -76.13 52.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.01 -75.48 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -44.52 -28.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -56.69 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 33.64 49.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -91.56 28.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' ASN . 16.2 t0 38.85 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' ILE . 36.8 m-20 -166.62 31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -14.87 23.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 16' ' ' ILE . 2.5 t -58.81 -41.89 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.16 -24.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.14 -46.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -50.78 -40.72 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 19.2 ttt85 -66.0 -18.46 65.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.95 -19.78 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.1 mm -66.71 -92.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.58 -38.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.4 t -51.79 -60.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.22 -118.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' GLN . 64.5 p -52.4 -173.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.47 115.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.97 32.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 75' ' ' VAL . 1.4 mt -73.12 147.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.91 51.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 54' ' ' VAL . 6.7 mt -35.37 152.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.475 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 54.4 m -142.5 140.36 31.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 51' ' ' LEU . 10.4 m -137.28 153.69 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -107.96 38.31 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 53.17 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.876 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . 179.9 107.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -59.38 95.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 107.992 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.94 133.92 21.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.93 56.0 4.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 92' ' ' THR . 10.0 t 32.21 75.48 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 177.63 8.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -74.56 167.27 22.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.591 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 5.1 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.7 t -45.68 130.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m -130.21 106.71 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -96.53 171.37 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.62 163.0 14.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.58 177.56 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.76 -54.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 62.67 86.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -121.63 -177.86 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.534 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -92.37 -63.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -44.81 150.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD22 HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -179.09 -74.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.0 63.57 2.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.545 1.153 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG12 HD22 ' A' ' 12' ' ' LEU . 1.9 pp -119.1 171.6 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -167.5 164.23 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.763 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.4 pp -121.18 170.74 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 28' ' ' ILE . 11.6 p -165.51 173.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -133.77 -164.55 10.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.27 48.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -68.54 94.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -105.75 -54.97 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -100.43 169.61 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -47.16 139.35 6.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.15 -153.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.98 93.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . -132.45 -52.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 37.2 83.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -44.99 136.82 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.778 . . . . 0.0 109.253 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 26' ' ' GLY . 6.8 m-85 -121.87 148.07 45.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.974 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -51.75 126.81 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.25 -49.29 69.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.889 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.4 p 180.0 166.78 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 32' ' ' SER . 2.7 mp -127.51 128.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.737 ' H ' HG22 ' A' ' 33' ' ' ILE . 1.7 tttm 74.95 23.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.538 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -174.79 86.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -174.51 -122.57 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.4 -84.83 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG1' HG13 ' A' ' 45' ' ' ILE . 2.3 t -70.84 -24.66 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -62.79 -49.69 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HA ' HH21 ' A' ' 44' ' ' ARG . . . -67.58 -15.14 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 15.0 t70 -57.28 -52.06 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.29 47.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 38.59 63.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG13 ' CG1' ' A' ' 39' ' ' VAL . 13.5 mm -44.44 165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.6 mt-10 -112.86 166.2 11.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.672 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -37.93 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -87.38 19.73 30.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 50' ' ' MET . 21.5 t70 -62.59 -24.86 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.619 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 78.0 49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -91.94 85.94 5.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.03 4.33 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -134.82 153.73 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.691 HG22 HD22 ' A' ' 83' ' ' LEU . 69.2 t -138.54 155.7 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 36.0 t30 37.68 -138.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -84.31 9.66 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 t -89.69 158.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 42.3 m-20 -150.46 88.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 24.6 m-85 -77.21 53.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.56 -55.75 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -14.83 27.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 2.5 tpp -73.19 -83.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.3 t 34.63 57.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.7 13.67 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.22 17.43 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.763 ' HA ' HD11 ' A' ' 16' ' ' ILE . 5.5 p30 -166.24 30.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 -18.01 9.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.718 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -53.24 -40.9 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -24.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 110.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.81 -48.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.82 -42.47 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -63.45 -19.13 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.43 -20.92 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.6 mm -66.86 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.26 -37.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -55.35 -63.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.5 OUTLIER -131.81 -132.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 40.8 p -41.4 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.33 121.56 4.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 145.73 31.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.799 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.769 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -80.89 146.53 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.15 48.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.691 HD22 HG22 ' A' ' 54' ' ' VAL . 6.2 mt -35.65 151.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.484 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 31.7 m -140.72 143.49 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.945 HG12 ' HA ' ' A' ' 51' ' ' LEU . 21.9 m -136.11 153.06 31.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.541 1.15 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -91.25 40.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.17 172.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -179.16 114.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -42.66 105.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.39 118.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.482 HG21 ' HB2' ' A' ' 95' ' ' SER . 9.0 t -131.86 141.84 43.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.98 96.88 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.1 OUTLIER 37.0 61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 92' ' ' THR . 28.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.816 ' HB ' HG23 ' A' ' 84' ' ' THR . 3.7 t . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.8 t -142.71 150.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.1 m -115.1 97.9 6.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD11 ' CG2' ' A' ' 39' ' ' VAL . 4.0 mt -57.36 178.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -44.68 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 3.1 mtp 164.48 -49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.435 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 4.3 tt0 -37.88 151.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' A' ' 81' ' ' ILE . 9.6 mtm180 -101.91 78.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 7' ' ' GLU . 69.4 m-70 -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.662 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -65.47 1.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 1.054 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 10.8 p90 -45.86 144.12 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.204 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.51 -51.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.58 73.84 0.91 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt -124.54 173.88 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.226 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -164.78 156.01 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.796 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -116.2 174.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.2 p -167.38 172.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.563 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -138.43 -162.09 9.06 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.94 -65.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.2 m 66.75 89.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -107.66 -56.55 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.66 154.27 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' GLY . 63.2 mtt180 -41.51 117.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.63 91.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.27 120.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.16 75.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.26 106.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.1 mm -49.32 138.47 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.665 ' O ' HG12 ' A' ' 17' ' ' VAL . 5.8 p90 -132.39 143.59 49.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.954 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -47.19 122.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.83 -43.93 87.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 p -179.97 169.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 35' ' ' LYS . 5.4 mp -124.22 134.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.3 mmm -38.13 -29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.735 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER 72.04 157.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.391 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 35.81 58.9 0.93 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.734 ' H ' ' HB3' ' A' ' 40' ' ' ALA . . . -140.11 -125.28 2.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.03 -80.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.827 ' CG2' HD11 ' A' ' 4' ' ' LEU . 1.7 t -70.35 -22.07 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -65.47 -49.93 67.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.81 -12.79 61.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -60.35 -54.2 48.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -168.87 50.48 0.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 43' ' ' GLY . 6.6 ptp85 31.84 59.67 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.811 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG13 ' CG1' ' A' ' 39' ' ' VAL . 37.3 mm -40.55 161.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.1 mt-10 -117.96 163.85 22.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.618 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.94 15.12 33.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -54.39 -31.23 54.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.374 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 81.05 46.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.954 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -86.34 81.48 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.911 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.41 1.67 7.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.528 ' HG3' ' C ' ' A' ' 84' ' ' THR . 1.2 pt20 -132.57 153.44 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.4 t -139.32 153.94 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 38.1 -141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.83 2.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.9 153.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -151.72 89.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.7 m-85 -77.39 51.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.2 mm-40 -65.18 -75.75 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.71 -29.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.645 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.05 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 35.43 49.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' N ' ' A' ' 66' ' ' ASP . 8.5 t30 -91.15 29.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 t0 39.77 29.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 64' ' ' ASN . 34.3 m-20 -163.21 28.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -15.09 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.796 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.01 -41.79 87.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -25.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -108.89 -46.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.58 -42.53 44.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.12 -20.18 63.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -76.74 -22.81 53.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.7 mm -66.71 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.74 -38.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -53.26 -62.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.3 mt-30 -137.9 -129.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 81.7 p -40.27 160.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.29 118.72 4.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.99 145.97 32.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 8' ' ' ARG . 2.6 mt -79.65 145.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 155.2 46.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.412 1.07 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.865 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.05 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.816 HG23 ' HB ' ' A' ' 1' ' ' THR . 53.5 m -136.2 147.69 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.811 HG23 ' H ' ' A' ' 87' ' ' LYS . 1.2 m -142.17 155.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.6 1.188 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -91.86 34.09 1.01 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.811 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 52.75 173.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.91 82.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.42 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 6.1 t90 81.0 84.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -39.64 100.19 0.21 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' TRP . 18.1 Cg_endo -75.03 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 t -51.27 145.77 12.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.406 1.066 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.8 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 172.12 13.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.666 ' HA ' HG22 ' A' ' 85' ' ' VAL . 1.7 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -152.57 138.81 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 5' ' ' ASN . 25.6 m -97.91 96.34 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD11 HG22 ' A' ' 39' ' ' VAL . 3.9 mt -58.71 85.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 3' ' ' THR . 4.0 t-20 53.44 175.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 177.93 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.05 169.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 1.074 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.722 ' CG ' HD12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -137.93 102.43 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER 175.78 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER 168.65 143.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.628 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -87.72 161.57 17.54 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.791 HD11 HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -151.64 126.22 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 83.32 1.6 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 HD12 ' A' ' 12' ' ' LEU . 1.8 pp -119.38 170.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.92 154.45 32.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.922 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.86 172.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -163.32 173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -135.55 -164.97 10.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 172.75 -53.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m 74.72 -64.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 40.61 49.91 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -176.94 167.44 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -64.55 90.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.44 91.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.6 t0 163.35 123.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.544 0.791 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.39 -163.46 28.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.46 111.62 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.934 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.0 mm -47.35 140.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.739 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 15.4 p90 -132.02 151.3 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 33' ' ' ILE . 4.4 tp -52.64 120.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.99 -45.24 72.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.486 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m 179.98 166.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 0.723 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 35' ' ' LYS . 2.7 mp -113.71 123.99 69.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -28.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.676 ' H ' HG22 ' A' ' 33' ' ' ILE . 7.1 tttt 65.44 22.56 11.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -66.6 -114.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.7 -3.52 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.717 ' HB1' HD21 ' A' ' 12' ' ' LEU . . . -85.39 -86.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.791 HG23 HD11 ' A' ' 12' ' ' LEU . 84.1 t -70.46 -16.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.632 1.207 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -72.56 -47.57 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.36 -25.47 64.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -48.15 82.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.52 -129.12 1.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' ILE . 4.9 mtt85 -122.47 56.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.748 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 HD13 ' A' ' 33' ' ' ILE . 19.4 mm -42.76 164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.9 mt-10 -129.76 161.39 59.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.96 -34.68 3.68 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.51 18.43 14.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.8 OUTLIER -57.5 -30.96 65.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 0.816 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 3.0 tpp 85.62 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 83' ' ' LEU . 2.4 tm? -88.57 83.55 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.947 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.25 1.49 5.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.665 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.6 pt20 -137.49 153.64 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.895 HG22 ' HA ' ' A' ' 83' ' ' LEU . 13.8 t -139.75 153.01 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.3 t-20 37.86 -140.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.73 0.9 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.73 150.09 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -150.09 88.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.658 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 24.0 m-85 -80.19 50.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.3 mt-10 -62.08 -74.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.33 -28.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.658 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.13 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.0 t 31.0 52.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -90.95 27.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 41.0 29.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 64' ' ' ASN . 7.6 p30 -166.79 30.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.168 . . . . 0.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -14.65 22.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.922 HG23 HG12 ' A' ' 16' ' ' ILE . 2.2 t -56.14 -42.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -42.91 -25.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.46 -47.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.45 -43.41 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -62.5 -18.93 62.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 pt-20 -78.81 -21.82 47.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.233 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.41 -91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -38.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.4 t -51.74 -61.64 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -133.11 -121.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLN . 23.5 p -49.87 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.13 117.77 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.562 1.164 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 148.26 35.17 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 75' ' ' VAL . 2.8 mt -78.66 144.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER 155.6 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -30.42 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 1' ' ' THR . 85.3 m -133.64 143.25 48.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.073 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 51' ' ' LEU . 16.8 m -138.34 155.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 37.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 53.82 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . 172.07 83.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 75.65 63.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.81 104.68 0.35 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 1.1 m -39.47 139.73 0.84 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.99 56.1 4.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PRO . 12.4 ptt180 36.41 51.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.475 ' OG1' HG23 ' A' ' 84' ' ' THR . 13.8 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.9 t -144.0 150.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 m -114.3 96.87 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.45 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 4' ' ' LEU . 5.3 mt -63.96 179.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.95 102.65 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.0 mtm -179.59 160.02 0.92 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.12 177.84 5.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -42.91 -60.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m80 54.94 176.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.569 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -133.92 -62.92 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.701 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.86 131.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.39 113.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.54 80.61 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -118.67 169.29 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -155.39 165.59 36.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.3 pp -129.22 176.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.785 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.2 p -167.84 168.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -135.46 -163.42 10.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -156.7 -57.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m 45.18 70.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.954 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -99.65 -51.48 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.35 169.45 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -39.79 106.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.221 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.18 -143.66 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 52.77 92.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.36 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.28 127.38 5.86 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.35 85.29 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' VAL . 36.4 mm -46.07 137.86 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.553 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 21.1 p90 -132.31 142.99 49.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.862 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -43.56 123.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -46.31 92.26 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.413 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -179.92 169.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 35' ' ' LYS . 4.4 mp -126.42 129.07 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -84.92 31.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.794 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 36.12 44.34 0.26 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.78 -128.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.47 -13.17 4.37 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.95 -77.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.254 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG11 HG12 ' A' ' 33' ' ' ILE . 5.0 t -66.47 -22.81 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.794 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -71.96 -46.13 58.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.69 19.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.17 -54.14 29.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.67 -123.72 1.23 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -113.55 54.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.657 HG22 HD13 ' A' ' 33' ' ' ILE . 18.4 mm -41.35 163.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -127.44 162.48 48.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -40.04 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.808 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.731 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -84.74 36.75 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.6 t0 -81.95 -24.09 35.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.953 ' SD ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 77.24 50.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.93 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.0 tm? -92.31 84.97 5.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.957 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.56 5.43 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.52 HE21 HG22 ' A' ' 84' ' ' THR . 5.5 pt20 -134.28 153.1 52.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.824 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.3 t -139.45 154.82 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 14.9 t30 38.29 -142.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -77.23 2.19 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.18 154.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -154.57 90.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CG ' ' HE2' ' A' ' 62' ' ' MET . 22.5 m-85 -78.69 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.4 mm-40 -64.93 -74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.7 -27.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.554 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -60.85 -84.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 34.98 57.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -86.99 9.93 18.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.9 t0 64.32 19.6 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.817 ' HA ' HD11 ' A' ' 16' ' ' ILE . 16.8 p30 -162.33 29.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.82 -18.25 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -55.05 -39.68 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.86 -24.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.696 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -107.65 -47.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -43.77 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.8 ttp180 -61.38 -20.83 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.382 1.051 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.696 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -76.74 -20.57 56.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.58 -92.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.864 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.85 -38.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.9 t -53.54 -60.94 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.0 mt-30 -130.42 -121.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' GLN . 31.9 p -51.43 -174.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.348 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.423 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.12 116.84 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.06 150.24 37.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.864 HD11 HG12 ' A' ' 75' ' ' VAL . 1.6 mt -77.77 144.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 158.54 49.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.34 145.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.52 HG22 HE21 ' A' ' 53' ' ' GLN . 56.1 m -138.36 142.92 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -136.54 153.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.953 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . -101.66 41.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 53.22 172.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . -179.61 57.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -177.16 -175.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 107.947 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -121.0 95.04 49.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 15.1 t -153.53 144.87 16.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -75.03 118.36 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 144.64 27.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.948 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.431 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 11.1 t . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.533 0.206 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' H ' ' H2 ' ' A' ' 1' ' ' THR . 38.6 t -54.24 119.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -130.13 107.25 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.546 HD11 HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -93.26 84.98 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.22 179.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 73.48 118.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 71.35 109.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 2.4 ptt85 -122.54 62.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 175.03 103.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.667 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.3 168.6 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.539 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -55.6 179.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -158.45 -64.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.36 61.2 6.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.694 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.8 pp -121.21 174.14 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' GLY . 59.5 p -150.89 152.97 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.929 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.83 171.71 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.2 p -163.29 170.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -136.53 -153.96 6.65 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.04 -61.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 4.6 m 60.17 167.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' SER . 10.2 t-20 79.54 -56.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -40.92 107.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.2 mtm180 -47.52 137.21 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.83 70.5 0.23 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 171.29 92.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.64 -140.87 4.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.37 111.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 34.3 mm -44.21 138.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.644 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.8 p90 -129.98 142.94 50.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.917 HD13 HD12 ' A' ' 51' ' ' LEU . 5.6 tp -46.76 126.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -64.05 -40.63 98.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.716 ' C ' HD12 ' A' ' 33' ' ' ILE . 84.1 p -179.69 163.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.53 120.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -62.17 85.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' MET . 4.6 tttm -38.94 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.485 ' H ' ' HB1' ' A' ' 40' ' ' ALA . . . 112.63 81.88 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.43 -128.47 1.15 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.37 -86.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG23 HD11 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.16 -21.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HB1' ' H ' ' A' ' 36' ' ' GLY . . . -63.08 -44.95 94.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.09 -23.79 63.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.84 -42.54 62.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.3 -136.84 2.38 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -117.24 55.51 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.711 HG22 HD13 ' A' ' 33' ' ' ILE . 9.8 mm -42.13 164.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.3 mt-10 -131.15 163.7 47.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.736 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.01 -37.31 2.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.29 30.24 5.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -76.74 -26.05 54.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.28 48.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.975 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.1 tm? -92.54 84.78 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.76 4.21 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.585 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.0 pt20 -133.41 155.79 48.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.1 t -139.96 150.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 28.5 t30 39.23 -139.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.1 3.17 18.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.501 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -85.8 147.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -147.29 88.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.662 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.1 m-85 -79.6 49.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -65.14 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.62 -25.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.662 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -58.59 -76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.08 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 1.4 t 30.63 51.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.7 t-20 -91.05 23.18 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 42.9 27.59 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 64' ' ' ASN . 21.6 m-20 -164.92 29.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.43 -16.5 15.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.929 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -56.22 -43.46 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.37 -25.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -108.96 -43.72 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -39.11 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.64 -16.32 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -82.82 -19.99 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -64.78 -89.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.657 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.9 -37.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.368 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -54.89 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -135.06 -131.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 53.7 p -40.04 160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.7 4.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.03 145.51 31.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -82.53 145.19 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 83' ' ' LEU . 3.8 t 156.79 47.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.845 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -28.43 139.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.453 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 57.6 m -134.38 141.39 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.975 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.8 m -134.12 154.38 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . -93.93 39.81 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.528 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 55.03 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 178.43 62.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 2.5 t90 86.93 71.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -81.14 116.47 62.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 106.84 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 92' ' ' THR . 10.1 t -40.84 110.7 0.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -176.21 2.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 170.95 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.75 ' HB ' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 47.8 t -154.04 121.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.9 m -97.02 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.66 HD11 HG22 ' A' ' 39' ' ' VAL . 4.6 mt -64.74 177.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -51.43 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.07 100.2 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -179.94 131.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.623 1.202 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.73 ' HA ' HD12 ' A' ' 81' ' ' ILE . 14.9 ptt-85 -127.79 64.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -163.44 76.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.99 166.83 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 72.0 t80 -88.86 173.05 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -176.63 102.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 97.57 0.31 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.25 173.18 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -167.15 155.61 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.887 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -109.13 172.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.987 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.4 p -163.31 179.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.703 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -141.5 -161.9 8.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.9 tt0 175.8 58.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' GLN . 28.3 p -39.37 124.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -166.38 132.23 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.35 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 21.5 mtp180 -77.96 148.69 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . 36.81 90.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 161.19 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.259 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . -161.58 -55.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . 41.28 85.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' VAL . 40.1 mm -49.24 135.88 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 27' ' ' GLY . 2.9 m-85 -119.1 163.87 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 33' ' ' ILE . 5.3 tp -64.55 122.29 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.69 -49.76 56.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.92 164.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.875 HD13 HG22 ' A' ' 45' ' ' ILE . 4.5 mp -128.25 120.67 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm -45.81 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.615 ' NZ ' HH21 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -41.14 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.504 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . 36.04 91.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . -170.08 -116.0 0.36 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 -75.3 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 HD11 ' A' ' 4' ' ' LEU . 10.7 t -73.94 -21.38 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' ' N ' ' A' ' 36' ' ' GLY . . . -75.92 -44.36 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 37' ' ' GLY . . . -63.13 -18.96 64.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -45.3 64.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 40' ' ' ALA . . . -162.41 -128.84 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.615 HH21 ' NZ ' ' A' ' 35' ' ' LYS . 11.8 ttm180 -137.83 64.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.875 HG22 HD13 ' A' ' 33' ' ' ILE . 15.3 mm -47.82 165.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.4 mt-10 -134.88 161.15 65.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -34.08 4.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.05 17.06 53.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.753 ' OD1' HG11 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -57.37 -25.34 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.2 ttt 81.59 54.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.964 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -92.82 85.19 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.923 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.46 5.77 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.6 pt20 -138.07 148.37 44.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 83' ' ' LEU . 19.1 t -137.81 152.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 23.0 t30 38.68 -138.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.456 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 4.7 p-10 -83.25 7.63 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -85.83 160.22 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.0 p30 -152.4 90.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 21.8 m-85 -80.3 52.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.8 mt-10 -75.56 -51.14 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -10.17 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.4 ttp -77.34 -84.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 31.47 40.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 22.1 t30 -58.64 -66.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.45 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.887 ' HA ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -139.46 47.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.41 -24.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 16' ' ' ILE . 1.5 t -42.8 -43.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -41.53 -26.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -106.2 -48.95 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.7 -43.47 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 4.9 ttt85 -62.45 -19.32 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt-20 -78.48 -20.64 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.3 mm -63.8 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.962 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.98 -38.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.7 t -53.84 -62.45 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.5 mt-30 -127.78 -118.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.6 p -52.19 -173.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.0 115.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.04 149.89 37.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.962 HD11 HG12 ' A' ' 75' ' ' VAL . 2.3 mt -76.68 144.47 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 157.98 47.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 0.0 110.036 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -33.94 141.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.75 HG23 ' HB ' ' A' ' 1' ' ' THR . 99.5 m -135.07 139.05 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.964 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.6 m -137.03 155.54 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.33 38.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.11 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.14 100.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 91' ' ' PRO . 24.9 t90 -42.77 -72.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.076 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.05 87.75 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 105.98 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.577 1.83 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 8.9 t -111.36 144.82 31.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.5 Cg_endo -74.94 174.57 12.53 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.538 1.809 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 3.9 ptp180 -97.13 148.84 22.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 85' ' ' VAL . 5.9 t . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.579 0.228 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.0 t -55.08 143.11 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m -115.21 98.95 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.007 HD11 HG23 ' A' ' 39' ' ' VAL . 3.9 mt -56.51 179.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -93.82 108.77 20.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -36.16 120.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 176.41 76.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 28.6 mtm105 -63.66 99.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 5.2 m-70 -116.89 -81.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 1.6 m80 171.88 -62.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -37.05 135.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.622 HD12 HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -165.45 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.73 60.1 6.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.622 HG12 HD12 ' A' ' 12' ' ' LEU . 1.1 pt -126.64 174.27 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' GLY . 54.0 p -163.76 155.85 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.982 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -114.21 171.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.5 p -158.91 169.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -134.33 -147.41 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 68.27 105.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -177.63 3.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -108.32 -43.13 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.96 177.46 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -58.28 121.4 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.85 -152.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 43.43 91.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.35 66.89 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . -43.32 108.53 0.17 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.2 mm -49.04 140.86 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . 10.2 p90 -136.6 154.02 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.5 tp -52.45 119.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.35 -46.04 81.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.4 p 179.97 169.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.641 HG22 ' H ' ' A' ' 35' ' ' LYS . 5.2 mp -122.31 138.32 52.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.517 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -46.11 -24.97 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 1.011 ' C ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 88.82 -36.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -132.43 104.02 0.54 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.698 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -178.03 -119.89 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.04 -82.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.007 HG23 HD11 ' A' ' 4' ' ' LEU . 2.6 t -73.44 -14.24 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.011 ' HB1' ' C ' ' A' ' 35' ' ' LYS . . . -70.94 -49.76 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.8 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.09 -46.88 87.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.59 -138.91 2.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ILE . 3.8 mmm-85 -124.19 57.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 HG13 ' CG1' ' A' ' 39' ' ' VAL . 29.9 mm -43.06 164.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -120.96 162.03 37.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.619 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.67 14.38 36.66 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -53.81 -30.95 47.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.604 0.826 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER 82.89 49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.787 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.3 tm? -86.05 83.33 7.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.28 4.64 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.502 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.7 pt20 -135.68 142.56 45.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.821 HG12 HD22 ' A' ' 55' ' ' ASN . 75.7 t -138.18 148.82 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.821 HD22 HG12 ' A' ' 54' ' ' VAL . 8.7 p30 42.64 -139.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -82.35 6.79 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.81 150.33 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -146.83 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 24.0 m-85 -79.09 50.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.18 -45.02 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -0.95 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -86.11 -73.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.944 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.543 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.4 t 28.33 46.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.4 t30 -91.59 26.78 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t0 39.88 30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' ASN . 25.0 m-20 -163.92 30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -15.04 21.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 16' ' ' ILE . 3.0 t -59.71 -42.84 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -26.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -107.52 -44.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD21 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -50.38 -41.57 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.2 ttt180 -64.14 -17.62 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -80.33 -20.09 45.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.456 HD13 ' HA3' ' A' ' 79' ' ' GLY . 1.8 mm -66.92 -92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.74 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.88 -38.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 4.1 t -51.24 -59.37 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -135.73 -118.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 65.2 p -51.6 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 77.03 115.09 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.76 31.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.74 HD11 HG12 ' A' ' 75' ' ' VAL . 1.5 mt -75.64 145.6 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 157.05 52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -35.71 145.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.487 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 76.0 m -141.26 139.94 33.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 51' ' ' LEU . 2.3 m -138.21 156.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.218 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.17 37.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.703 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 50.28 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 178.96 73.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 1.2 t-105 85.28 66.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 93' ' ' PRO . 18.3 Cg_endo -75.0 106.07 2.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -36.82 97.7 0.14 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' PRO . 18.0 Cg_endo -74.95 -174.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.74 137.37 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.036 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.589 ' HA ' HG22 ' A' ' 85' ' ' VAL . 4.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.439 HG12 HD23 ' A' ' 4' ' ' LEU . 75.1 t -144.72 133.87 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m -110.67 97.94 7.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -95.68 77.62 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER 53.88 171.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.39 85.51 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -148.37 133.97 18.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.7 124.91 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -121.29 175.15 6.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 109.605 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -119.12 -63.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.619 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.67 146.81 54.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.07 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.84 76.16 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -123.55 170.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.565 0.803 . . . . 0.0 109.367 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 p -160.19 154.92 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.921 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.66 172.82 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 p -163.79 172.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -134.76 -163.7 10.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.56 -63.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 m 59.86 172.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.82 -54.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -142.14 -52.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.227 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.41 114.58 16.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.28 -151.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.25 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.2 84.94 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -43.34 104.44 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.955 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.5 mm -53.04 139.01 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.679 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 24.7 p90 -131.11 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.906 HD13 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -50.09 127.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.19 94.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.556 ' C ' HD12 ' A' ' 33' ' ' ILE . 2.8 m -178.88 157.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 30' ' ' ILE . 2.3 mp -109.86 121.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -41.72 -34.3 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.756 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 2.0 mtmt 73.59 41.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -77.69 -111.6 0.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.69 -11.03 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -80.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.61 HG12 ' CG1' ' A' ' 45' ' ' ILE . 2.5 t -73.5 -21.07 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.181 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.756 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -67.48 -44.64 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -17.8 63.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.88 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 152.67 56.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 38.84 60.98 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.61 ' CG1' HG12 ' A' ' 39' ' ' VAL . 16.4 mm -43.53 164.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -121.65 163.22 32.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.08 -37.34 2.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 21.59 11.3 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.608 ' OD1' HG11 ' A' ' 85' ' ' VAL . 9.0 t70 -63.31 -27.89 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 81.59 52.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.906 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -91.6 86.82 6.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.97 4.19 5.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.38 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -135.41 154.08 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 12.8 t -140.12 150.97 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 16.6 t30 42.08 -140.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -81.04 6.57 13.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.94 155.15 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -147.92 89.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.623 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 15.6 m-85 -79.5 51.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.82 -55.08 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.19 -14.85 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 1.2 tpp -67.07 -73.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.4 t 24.55 51.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 66' ' ' ASP . 7.6 t30 -92.03 25.88 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.53 29.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' ASN . 5.7 p30 -170.57 32.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.71 26.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.921 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -57.46 -42.21 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -43.42 -25.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.734 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.47 -44.81 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.509 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -50.97 -41.57 59.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.8 OUTLIER -65.59 -17.92 64.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -80.89 -20.05 43.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.5 mm -65.03 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.905 HG12 HD11 ' A' ' 81' ' ' ILE . 3.3 m -38.22 -43.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -47.3 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.9 mt-30 -132.29 -118.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 77' ' ' GLN . 63.5 p -52.12 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.37 117.88 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -74.99 147.35 33.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.905 HD11 HG12 ' A' ' 75' ' ' VAL . 2.4 mt -78.1 145.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.82 45.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.932 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.36 144.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 1' ' ' THR . 51.5 m -136.53 144.77 44.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.6 m -136.77 153.89 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.09 41.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 51.09 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.07 119.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -42.41 116.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.9 153.79 11.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.21 2.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.491 1.785 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 92' ' ' THR . 7.4 t -115.77 115.08 41.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -58.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.92 165.61 29.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 95.3 t -146.13 142.93 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m -112.13 97.25 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.753 ' HB2' HD11 ' A' ' 83' ' ' LEU . 5.1 mt -62.84 117.04 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.18 102.12 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.26 149.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.57 166.2 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 81' ' ' ILE . 46.8 mtm180 -71.92 88.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.45 174.0 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.614 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -117.58 101.18 8.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' A' ' 12' ' ' LEU . 8.1 t80 -123.21 -37.63 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.651 HD13 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -107.82 142.58 37.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.07 120.21 6.8 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt -123.66 174.03 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -163.06 165.41 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.069 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.894 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -115.68 169.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.8 p -157.23 171.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -140.92 -162.52 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 178.99 -47.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.74 114.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -139.4 115.21 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.01 89.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 179.4 66.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.17 76.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.23 124.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.09 90.75 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.44 0.81 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 17' ' ' VAL . 21.2 mm -50.96 137.59 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.616 ' CE2' HG13 ' A' ' 17' ' ' VAL . 1.3 p90 -126.49 163.41 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 47' ' ' PRO . 5.5 tp -55.45 124.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.75 -48.56 76.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.96 158.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.96 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 32' ' ' SER . 1.4 mp -107.84 119.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 mtp -67.67 -5.49 16.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' ILE . 1.4 mtmt 68.08 -106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.58 -43.6 3.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.55 -9.89 2.91 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.21 -75.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG22 HD11 ' A' ' 4' ' ' LEU . 50.1 t -76.49 -21.38 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . . . -65.36 -44.67 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.71 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.31 -45.89 72.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 151.23 56.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 38.07 59.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.783 . . . . 0.0 110.199 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm -43.61 165.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.4 mt-10 -126.39 162.36 46.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.82 2.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.21 11.11 38.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -48.7 -33.5 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.593 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 84.57 48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.967 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.2 tm? -81.54 88.65 6.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.966 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.7 5.88 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' A' ' 84' ' ' THR . 1.3 pt20 -137.77 144.56 41.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 83' ' ' LEU . 73.4 t -142.02 151.28 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.754 HD21 HG23 ' A' ' 57' ' ' VAL . 15.9 p-10 33.92 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.95 8.97 7.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.754 HG23 HD21 ' A' ' 55' ' ' ASN . 2.4 t -87.4 155.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -145.2 88.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 18.1 m-85 -80.0 54.51 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.55 -69.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -24.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.485 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 tpp -64.04 -85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 63' ' ' SER . 3.5 t 35.83 49.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.73 155.54 16.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 2.4 t0 -75.63 54.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 2.7 p30 156.21 43.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.56 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.894 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -58.35 -39.27 73.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -44.5 -23.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.694 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -103.68 -49.79 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -49.09 -43.55 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.75 -20.26 63.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.694 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -76.22 -21.53 56.31 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -66.46 -92.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 1.106 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.64 -37.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 11.4 t -55.59 -66.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.2 mt-30 -131.04 -131.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 41.4 p -41.7 158.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 110.436 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.71 117.04 3.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.07 149.94 37.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 1.106 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -81.97 145.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.4 50.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.965 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -37.13 145.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 88.1 m -146.1 143.26 29.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.967 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.0 m -130.8 155.46 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -90.31 40.8 1.02 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 52.85 173.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . 175.98 64.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.458 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 85.39 -67.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -46.31 124.69 7.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.426 ' O ' ' NZ ' ' A' ' 87' ' ' LYS . 18.4 Cg_endo -75.0 -164.18 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 93' ' ' PRO . 5.1 m -124.61 139.9 34.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.99 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.406 1.74 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -167.56 168.86 12.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.783 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 9.6 t . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.527 0.203 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' LEU . 22.0 t -44.94 133.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -108.82 98.85 8.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 39' ' ' VAL . 3.5 mt -52.26 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -130.42 171.34 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.74 176.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.74 -179.12 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -82.96 120.12 25.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -179.61 53.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -177.87 167.36 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.3 m-85 -84.04 179.56 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.728 HD12 HG12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -153.48 120.81 5.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.21 68.43 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.728 HG12 HD12 ' A' ' 12' ' ' LEU . 1.1 pt -124.62 175.43 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.5 156.55 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.951 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.688 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.4 173.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.966 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.0 p -161.36 175.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.654 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -138.38 -162.99 9.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -160.52 -52.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 0.741 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m 66.78 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' GLN . 13.5 t30 72.19 169.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.4 -54.92 18.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -136.66 156.45 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.63 -147.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 49.8 90.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.375 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.54 -147.33 4.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.58 88.65 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.8 mm -44.92 139.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.747 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.8 p90 -135.16 152.05 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.685 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.7 tp -49.85 124.89 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.34 -46.13 93.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.5 m -177.08 164.87 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -118.48 120.77 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mmt -43.26 -26.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' N ' ' HB1' ' A' ' 40' ' ' ALA . 1.2 ttmt 76.43 0.9 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.18 75.9 0.26 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -161.53 -128.25 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.03 -81.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.796 HG23 HD11 ' A' ' 4' ' ' LEU . 1.4 t -76.9 -14.49 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' N ' ' A' ' 35' ' ' LYS . . . -69.92 -48.29 59.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.3 -16.65 59.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.03 -43.85 91.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.03 -138.99 2.53 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.441 1.088 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -124.89 55.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG13 ' CG1' ' A' ' 39' ' ' VAL . 43.4 mm -47.26 163.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 45' ' ' ILE . 1.7 mt-10 -120.28 163.85 26.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.0 -37.77 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.38 33.14 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -75.77 -29.05 58.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.596 ' SD ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 83.37 45.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.859 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.4 tm? -86.45 87.48 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.357 1.036 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -135.39 9.03 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 84' ' ' THR . 0.2 OUTLIER -137.19 152.0 49.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 83' ' ' LEU . 25.5 t -141.07 155.05 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 39.84 -142.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.19 7.09 10.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -88.1 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.71 90.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 24.9 m-85 -75.93 51.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.66 -61.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.92 -18.01 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.602 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.46 -74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 27.79 53.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' ASP . 6.5 t-20 -91.6 26.01 2.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 65.5 t0 42.44 28.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' ILE . 45.4 m-20 -167.44 31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.76 -14.77 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.688 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -22.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -109.46 -45.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.59 -41.71 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.9 OUTLIER -65.39 -19.16 65.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.26 -18.68 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.13 -93.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.25 -38.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.8 t -52.26 -58.51 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.6 mt-30 -134.43 -119.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' GLN . 15.1 p -51.37 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.19 119.37 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -75.71 143.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.45 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.857 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.79 147.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 53.7 m -139.77 144.96 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.859 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.6 m -135.8 152.45 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.4 23.98 11.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' C ' ' HB2' ' A' ' 50' ' ' MET . 0.0 OUTLIER 59.49 170.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' HB2' ' SD ' ' A' ' 50' ' ' MET . . . -160.77 77.52 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ASP . 3.0 t90 71.23 -64.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' TRP . 34.3 t70 40.48 89.12 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.88 4.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.5 t -168.09 137.32 2.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_endo -75.04 161.79 38.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 176.12 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.488 ' C ' HG23 ' A' ' 2' ' ' VAL . 15.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.488 HG23 ' C ' ' A' ' 1' ' ' THR . 95.3 t -156.26 135.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m -100.45 95.59 6.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 4' ' ' LEU . 3.6 mt -59.21 149.34 28.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -106.28 102.05 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.2 170.29 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.55 142.46 32.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HB2' HD12 ' A' ' 81' ' ' ILE . 51.7 ttp180 -70.4 97.0 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -123.6 -78.71 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -177.63 -172.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.586 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 58.47 153.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.22 -73.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 50.94 2.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 pp -120.52 167.33 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -157.81 162.83 38.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.947 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -124.7 171.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.1 p -161.36 169.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.55 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -131.82 -164.74 11.17 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.0 72.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.3 p -117.0 111.67 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 109.972 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -176.39 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.1 -54.39 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 175.19 100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.39 -150.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.39 89.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.75 -61.44 0.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.44 93.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.9 mm -52.12 138.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.658 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 23.5 p90 -131.23 144.24 51.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.893 HD13 HD12 ' A' ' 51' ' ' LEU . 6.1 tp -46.51 126.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 109.223 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.08 94.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.61 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m -178.6 159.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.037 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 30' ' ' ILE . 2.0 mp -111.48 122.19 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -29.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' H ' HG22 ' A' ' 33' ' ' ILE . 4.3 mtmp? 46.7 57.84 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' HB2' ' A' ' 40' ' ' ALA . . . -108.99 -54.8 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.59 -37.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -94.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.779 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 45' ' ' ILE . 17.5 t -64.88 -13.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 36' ' ' GLY . . . -61.74 -43.58 98.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.55 -23.08 58.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 39' ' ' VAL . 42.9 t0 -49.34 -45.03 45.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 143.02 60.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 36.49 55.79 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.6 mm -42.83 164.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.2 mt-10 -126.27 162.33 46.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.04 -39.66 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.703 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.43 35.41 3.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 50' ' ' MET . 42.3 t0 -80.33 -25.96 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.59 53.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.893 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -94.87 90.34 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.948 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -133.46 9.1 3.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 3.9 pt20 -135.59 152.76 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.749 HG23 HD21 ' A' ' 71' ' ' LEU . 78.7 t -137.04 155.37 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' VAL . 23.8 t30 36.08 -140.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.24 5.04 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -84.83 156.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -152.1 89.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.638 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.7 m-85 -77.96 51.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -66.15 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -51.17 -22.38 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.638 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.93 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.3 t 34.15 49.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.9 t30 -90.4 28.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 39.68 29.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 64' ' ' ASN . 6.6 p30 -162.92 28.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.95 -14.5 23.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.947 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -59.98 -41.63 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -25.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.621 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.08 -44.26 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.749 HD21 HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -52.45 -40.85 62.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.3 ttp180 -65.89 -17.81 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.621 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -79.75 -21.27 44.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -68.15 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -39.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.7 t -52.61 -64.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.7 mt-30 -132.81 -129.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 69.0 p -43.0 166.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.19 120.42 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.432 1.083 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.01 145.08 30.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.7 mt -78.59 146.83 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.5 49.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.654 HD22 HG22 ' A' ' 54' ' ' VAL . 6.3 mt -35.69 152.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 52.1 m -141.16 144.23 34.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 51' ' ' LEU . 4.0 m -133.18 152.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -110.57 37.81 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.658 ' HZ2' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER 53.83 170.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . 174.96 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.177 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 51.2 63.58 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.8 103.41 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 105.95 2.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.658 HG22 ' HZ2' ' A' ' 87' ' ' LYS . 15.0 t -98.5 144.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.4 Cg_endo -74.97 170.23 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -100.43 172.12 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 109.936 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.803 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 7.5 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.0 t -74.85 121.23 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m -129.92 104.94 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.477 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -96.24 173.6 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -145.9 104.09 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -151.84 77.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 58.22 169.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 21.4 ttp-105 -123.83 77.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -96.14 172.68 7.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -108.33 62.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.661 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -166.44 135.64 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.36 -60.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.28 75.8 1.26 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.422 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.3 pp -136.21 177.61 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -171.82 159.91 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.008 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -112.17 173.58 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.4 p -160.51 168.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -138.82 -165.17 10.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 173.45 67.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -49.01 160.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 65.27 85.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.74 -52.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.74 69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 36.45 57.78 1.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.99 118.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 0.796 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.96 -62.92 1.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.84 82.27 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.3 mm -53.61 137.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.651 ' CE2' HG13 ' A' ' 17' ' ' VAL . 8.8 p90 -127.2 158.55 36.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.875 HD13 HD12 ' A' ' 51' ' ' LEU . 4.8 tp -54.47 126.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -63.7 -43.87 97.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 m 179.84 157.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.839 HD13 HG22 ' A' ' 45' ' ' ILE . 4.4 mp -125.4 129.2 72.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.2 mtt -51.89 88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.74 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -40.18 159.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.33 78.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.389 1.056 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.11 -126.95 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.63 -76.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.505 ' CG1' HG13 ' A' ' 45' ' ' ILE . 15.4 t -75.02 -26.9 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -15.3 63.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.08 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -175.97 53.48 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 34.92 58.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.839 HG22 HD13 ' A' ' 33' ' ' ILE . 16.5 mm -42.11 163.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.4 mt-10 -127.16 162.34 48.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -85.66 23.0 9.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -65.51 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 83.37 48.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.4 tm? -85.2 81.09 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.72 7.75 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.2 pt20 -136.51 148.71 47.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 83' ' ' LEU . 24.1 t -140.46 150.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.5 t-20 35.49 -139.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.67 4.89 14.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.13 157.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.407 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 8.1 m120 -151.34 89.88 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 21.2 m-85 -82.98 54.54 2.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.547 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.1 mt-10 -75.84 -52.44 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -11.21 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.7 tpp -73.1 -83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.4 t 30.22 42.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' MET . 39.7 t30 -65.98 -66.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 65' ' ' ASP . 8.7 t0 166.09 -37.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.33 46.78 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.09 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.008 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -51.23 -41.16 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -43.5 -24.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -106.61 -48.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.01 -41.52 47.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 3.7 tpt180 -64.68 -18.97 65.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -79.06 -21.32 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.472 HD13 ' HA3' ' A' ' 79' ' ' GLY . 3.2 mm -63.34 -92.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.76 -39.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 8.1 t -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.0 mt-30 -126.37 -116.52 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 77' ' ' GLN . 73.5 p -50.62 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.472 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 71.65 115.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.01 147.68 34.22 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 75' ' ' VAL . 4.9 mt -73.49 144.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 4.6 t 155.69 44.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.803 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.508 HG23 ' HA ' ' A' ' 1' ' ' THR . 54.8 m -140.87 146.93 38.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.88 HG12 ' HA ' ' A' ' 51' ' ' LEU . 19.1 m -133.48 153.38 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -94.83 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 52.16 174.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.367 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . -177.88 82.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER 87.31 148.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 130.97 65.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.0 m -149.03 74.93 9.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.74 3.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -128.4 170.62 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' VAL . 14.4 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' THR . 31.3 t -40.26 121.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m -116.36 98.61 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -95.61 111.23 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 151.5 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.512 ' HB3' HD13 ' A' ' 81' ' ' ILE . 2.5 ttt -179.6 124.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.623 1.202 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 67.57 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' NH1' ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 40.31 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.74 166.84 10.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.48 179.88 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 58.72 113.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD22 HG12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -142.99 -62.31 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 59.0 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.528 HG12 HD22 ' A' ' 12' ' ' LEU . 1.9 pp -120.43 171.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.586 0.815 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -161.18 158.61 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.836 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.43 174.51 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.935 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.7 p -159.25 170.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -137.08 -164.48 10.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.96 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m 60.66 148.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.071 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.2 t-20 -125.19 148.24 48.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.56 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -154.08 105.41 2.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 35.66 89.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.569 1.168 . . . . 0.0 111.047 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.39 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.387 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.17 -85.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.32 105.6 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.8 mm -50.35 139.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 17' ' ' VAL . 3.7 p90 -134.01 160.52 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.973 HD13 HD12 ' A' ' 51' ' ' LEU . 4.6 tp -54.55 121.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.36 -49.6 63.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 33' ' ' ILE . 11.3 p 179.92 170.77 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 110.057 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.864 HG12 HG11 ' A' ' 39' ' ' VAL . 4.8 mp -126.84 138.09 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' LYS . 16.6 mtm -86.65 26.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.799 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 12.7 mttt 37.58 40.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.56 -124.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.46 -12.49 4.18 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.85 -83.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.864 HG11 HG12 ' A' ' 33' ' ' ILE . 19.9 t -65.54 -22.0 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.799 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -67.75 -48.12 67.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.47 -28.44 44.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -51.04 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.74 -123.18 1.27 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.429 1.081 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' ILE . 7.4 mtm180 -113.84 54.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 0.724 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.678 HG13 HG13 ' A' ' 39' ' ' VAL . 10.5 mm -42.18 164.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mt-10 -126.69 162.55 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.587 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.96 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.809 ' OD1' HG11 ' A' ' 85' ' ' VAL . 17.0 t70 -54.09 -30.38 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 0.779 . . . . 0.0 109.306 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER 82.33 50.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.34 82.7 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.971 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.9 1.76 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.648 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.8 pt20 -135.88 154.25 51.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.846 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.5 t -140.39 151.16 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 5.5 t-20 38.89 -140.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 0.38 21.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.21 147.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -145.88 89.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 21.4 m-85 -78.15 46.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.7 mm-40 -57.13 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 m-20 -39.94 -44.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.501 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -46.9 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 45.47 23.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 62' ' ' MET . 3.9 t-20 -50.79 163.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 33.5 t70 -83.8 44.92 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 160.45 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.75 -14.64 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.836 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -60.39 -40.27 83.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.69 -49.75 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.828 HD11 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -48.83 -42.92 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.45 -21.87 64.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.723 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -74.84 -19.52 60.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.5 mm -69.27 -91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.86 -37.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -53.23 -57.93 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.9 mt-30 -137.02 -123.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 72.7 p -46.52 174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.25 121.36 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 154.47 42.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 75' ' ' VAL . 3.6 mt -85.71 146.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 2.5 p 151.82 45.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.846 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.72 144.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.468 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 85.3 m -130.76 142.3 50.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.857 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.8 m -136.23 154.93 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.78 39.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 53.14 173.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . 176.97 90.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER 74.16 117.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 107.968 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TRP . 2.9 p30 -39.37 99.95 0.2 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' TRP . 18.5 Cg_endo -74.97 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.82 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.1 t -91.26 146.65 33.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.98 174.24 13.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -143.49 170.96 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.754 ' HA ' HG22 ' A' ' 85' ' ' VAL . 2.0 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.8 t -144.31 126.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 m -102.9 97.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.506 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -96.47 171.99 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -118.94 138.28 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' GLU . 1.6 mtm 169.59 123.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -44.63 169.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 10.3 ptt180 -105.58 131.18 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER 169.07 166.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.618 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.31 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.55 175.43 7.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.13 96.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.1 104.22 1.61 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pp -126.69 174.23 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -157.45 156.17 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.942 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -121.89 174.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 29' ' ' TYR . 8.5 p -169.66 174.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -125.46 -167.92 12.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER 173.72 86.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 0.752 . . . . 0.0 110.258 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 58.7 m -40.15 -57.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.4 96.3 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CB ' ' HB3' ' A' ' 19' ' ' GLN . 10.1 t70 177.65 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER 66.67 123.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 37.42 30.74 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.1 t0 41.63 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.09 -168.67 18.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.17 96.89 2.27 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 35.3 mm -60.9 131.62 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.926 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.7 m-85 -124.04 143.62 50.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.081 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -52.12 120.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.09 35.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.7 p -179.83 168.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.786 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 32' ' ' SER . 1.8 mp -113.44 122.15 67.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt -45.97 -25.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' H ' HG22 ' A' ' 33' ' ' ILE . 4.6 mtmm 46.6 62.83 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 40' ' ' ALA . . . -106.3 -52.1 0.79 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.28 -34.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.46 -85.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 45' ' ' ILE . 16.6 t -73.58 -13.6 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLY . . . -63.22 -33.9 76.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.09 -26.44 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.34 -40.03 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 135.94 69.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 30.8 55.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG13 ' CG1' ' A' ' 39' ' ' VAL . 7.7 mm -42.26 164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.7 mt-10 -123.04 165.24 22.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.581 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -31.47 6.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -86.17 17.85 35.46 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.38 -32.34 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.73 48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.081 HD12 HD13 ' A' ' 30' ' ' ILE . 1.5 tm? -87.3 77.25 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.54 -0.08 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.7 pt20 -134.95 155.08 51.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 18.7 t -140.32 153.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.4 t-20 37.77 -140.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 2.39 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.4 153.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -151.66 89.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 23.1 m-85 -80.2 48.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 52' ' ' LEU . 5.8 mm-40 -63.04 -68.68 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.38 -31.03 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.645 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -57.83 -81.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 32.58 53.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ASP . 16.3 t30 -91.63 26.49 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 28' ' ' ILE . 54.1 t0 45.52 26.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.082 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' HA ' HD11 ' A' ' 16' ' ' ILE . 4.4 p30 -164.31 29.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.61 5.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -54.1 -42.52 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -25.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.59 -47.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -49.34 -43.67 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.46 63.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -77.21 -19.53 56.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.215 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.6 mm -67.89 -91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.65 -37.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.4 -61.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.39 -130.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 77.5 p -43.21 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.49 115.56 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.0 146.69 32.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -78.24 146.76 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.6 m 154.14 47.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -30.09 142.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.465 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 87.1 m -132.03 141.52 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 51' ' ' LEU . 5.3 m -137.32 155.13 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.46 36.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 54.22 171.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . -179.72 60.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 86.79 66.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 107.979 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -89.48 113.7 57.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 56.05 4.18 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.476 1.777 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m 40.59 89.65 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -69.79 168.43 15.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.594 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 8.8 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' VAL . 3.4 t -64.39 143.91 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -122.72 101.41 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.96 HD11 ' CG2' ' A' ' 39' ' ' VAL . 3.0 mt -48.93 173.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.8 -169.06 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.2 169.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.83 179.86 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.61 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -46.05 144.01 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -139.38 177.59 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.652 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -121.82 58.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.535 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -171.62 111.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.81 120.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.45 0.64 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.536 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.0 pp -124.88 171.65 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -159.54 157.72 30.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.823 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -112.04 175.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.906 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -166.85 172.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -134.1 -162.44 9.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -45.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.236 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.96 92.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t30 178.12 155.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -42.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.2 tpt180 -177.19 90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.45 58.93 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.625 1.203 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 40.35 88.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 40.38 -140.41 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.67 86.51 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.24 134.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.256 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.68 ' CE2' HG13 ' A' ' 17' ' ' VAL . 11.5 p90 -127.2 159.15 35.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.486 1.116 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 51' ' ' LEU . 5.8 tp -55.29 123.93 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -59.96 -43.69 97.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.518 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 180.0 160.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.954 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.785 HD11 HG21 ' A' ' 30' ' ' ILE . 4.3 mp -123.52 121.02 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -52.8 93.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.803 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -45.01 169.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 36.86 70.79 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 40' ' ' ALA . . . -154.03 -125.11 0.99 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.73 -81.78 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 0.733 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.96 ' CG2' HD11 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -71.25 -19.74 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -69.71 -48.29 60.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.73 -20.53 65.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.23 -50.67 72.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' ALA . . . -162.17 -141.08 3.03 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ILE . 1.1 mtt180 -119.02 55.04 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.739 HG22 HD13 ' A' ' 33' ' ' ILE . 31.5 mm -41.35 162.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -133.8 161.51 63.3 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.01 -34.42 3.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -84.78 19.6 19.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -60.87 -29.89 69.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.32 48.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.27 84.52 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.01 0.49 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.5 pt20 -131.6 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.8 t -139.97 150.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.5 t-20 34.7 -137.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -80.86 4.14 20.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 1.8 t -80.11 160.17 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 35.9 m120 -155.56 94.44 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.4 m-85 -81.23 22.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -53.58 152.36 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.3 t-20 77.89 -50.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -35.82 -64.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 27.25 54.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.9 12.33 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.92 20.72 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -164.1 29.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -14.71 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.823 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -55.73 -41.26 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -25.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.41 -47.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -49.75 -43.18 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.8 tpt180 -63.12 -19.02 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -78.78 -20.56 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.453 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.2 mm -65.76 -92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.54 -38.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.9 t -51.97 -62.56 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -130.71 -116.74 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.4 p -52.58 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 70.93 115.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 148.59 35.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.956 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -76.48 146.25 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 3.5 t 155.32 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.915 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -33.44 145.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 91.0 m -140.02 143.29 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.936 HG12 ' HA ' ' A' ' 51' ' ' LEU . 14.9 m -134.88 153.94 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -94.01 41.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 51.63 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 80.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.2 t90 77.26 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.013 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -92.37 132.54 31.73 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.46 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.3 m -118.98 124.49 28.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.459 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 39.45 58.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.55 ' HB ' HG23 ' A' ' 84' ' ' THR . 4.6 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.498 HG12 HD23 ' A' ' 4' ' ' LEU . 76.1 t -136.66 137.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m -124.65 99.79 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD22 ' OD2' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -98.8 77.54 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 52.67 175.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.02 77.98 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.795 ' O ' HD12 ' A' ' 81' ' ' ILE . 1.9 tt0 -113.5 -179.99 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -178.86 84.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 179.02 72.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.29 144.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -59.62 166.21 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -146.27 99.12 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 73.32 2.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.11 172.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 23.2 p -159.8 152.26 21.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.821 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -110.01 176.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.832 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.1 p -167.06 170.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -140.7 -155.33 6.48 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.439 1.087 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 175.04 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p 63.84 148.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -147.9 133.64 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.67 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 54.06 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.79 -139.2 0.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 65.95 98.79 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.793 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.11 99.37 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.45 122.9 21.82 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -51.51 140.38 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.4 p90 -131.38 142.89 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.783 HG21 HD11 ' A' ' 33' ' ' ILE . 5.2 tp -48.27 123.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.37 -43.4 95.74 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 33' ' ' ILE . 3.9 p -179.0 151.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.08 HG22 ' HB2' ' A' ' 40' ' ' ALA . 1.8 mp -114.3 123.16 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.74 85.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.952 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 9.6 mttt -38.99 129.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 51.71 3.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.053 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -145.33 -127.68 1.96 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.04 -74.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' HG13 ' A' ' 45' ' ' ILE . 3.4 t -81.08 -27.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.08 ' HB2' HG22 ' A' ' 33' ' ' ILE . . . -66.48 -44.35 82.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -68.27 -22.32 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.507 ' OD2' HD22 ' A' ' 4' ' ' LEU . 10.0 t0 -53.65 -47.63 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.4 -147.79 6.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' ILE . 3.3 ttp180 -95.88 44.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.498 HG13 ' CG1' ' A' ' 39' ' ' VAL . 40.5 mm -40.57 160.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -127.51 164.62 35.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.0 Cg_endo -75.06 -34.79 3.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.77 22.93 15.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -64.99 -26.06 68.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER 85.71 54.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 83' ' ' LEU . 1.5 tm? -88.35 78.67 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.24 0.8 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' THR . 3.2 pt20 -138.16 152.22 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 83' ' ' LEU . 42.1 t -140.32 157.38 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.0 t-20 39.17 -141.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 7.93 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.55 159.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 76.9 m-20 -156.19 90.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.592 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.4 m-85 -77.32 52.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.63 -65.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -17.95 7.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.592 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -70.62 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 26.46 52.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.957 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -91.31 28.76 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 41.09 28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 16' ' ' ILE . 23.8 m-20 -166.95 30.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -14.75 25.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.88 -38.9 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -22.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -110.38 -46.91 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.03 -41.89 48.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -64.12 -19.61 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.21 -19.53 53.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.59 -92.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.958 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.29 -38.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.2 t -52.05 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -133.67 -118.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.223 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 50.7 p -52.06 -173.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.6 118.22 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.57 35.33 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.958 HD11 HG12 ' A' ' 75' ' ' VAL . 3.0 mt -77.17 146.46 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.4 m 153.36 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.89 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.12 144.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 53' ' ' GLN . 50.5 m -130.24 148.81 52.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.616 HG23 ' H ' ' A' ' 87' ' ' LYS . 3.0 m -144.58 155.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.96 37.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 53.54 172.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.221 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.6 91.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.7 m-90 67.42 64.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' TRP . 0.6 OUTLIER -40.24 115.06 1.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.52 4.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -38.72 125.94 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.442 1.759 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.32 134.81 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.667 ' HB ' HG23 ' A' ' 84' ' ' THR . 1.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.5 t -144.47 128.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.7 m -102.42 96.42 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.627 HD11 HG23 ' A' ' 39' ' ' VAL . 5.3 mt -61.08 179.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.21 -176.88 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.28 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.9 ttm -72.2 126.07 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 177.71 156.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.905 ' HG2' HD12 ' A' ' 81' ' ' ILE . 6.6 mtm180 -172.92 73.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 10' ' ' HIS . 8.8 t-80 -177.26 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' HIS . 1.4 t60 -39.48 156.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -76.23 178.36 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.26 -64.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.42 63.03 1.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.605 1.191 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.679 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt -123.28 175.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.28 152.37 30.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -107.42 177.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.2 p -173.36 175.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.624 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -146.8 -170.44 15.21 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.3 pt20 -143.3 40.74 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' GLN . 62.0 p -38.94 121.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 177.75 124.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.39 169.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -48.64 141.52 7.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.19 -149.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.06 116.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 0.803 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.3 -57.46 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.66 83.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' VAL . 20.7 mm -53.96 136.59 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 2.1 p90 -137.07 158.94 43.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 33' ' ' ILE . 4.3 tp -54.8 119.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.88 -43.97 96.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.532 ' C ' HD12 ' A' ' 33' ' ' ILE . 92.6 p 179.96 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.972 HD13 ' CG2' ' A' ' 45' ' ' ILE . 4.7 mp -130.41 127.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' LYS . 5.6 mmt -63.94 89.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' MET . 43.2 mttt -39.7 103.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' HB1' ' A' ' 40' ' ' ALA . . . 129.31 71.83 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.5 -125.87 0.79 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 4' ' ' LEU . . . -77.7 -87.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.792 ' CG1' HD13 ' A' ' 45' ' ' ILE . 2.7 t -78.07 -13.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HB1' ' H ' ' A' ' 36' ' ' GLY . . . -71.59 -46.6 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.3 -17.7 61.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -42.05 98.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.48 -102.94 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -160.11 76.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.972 ' CG2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -50.09 179.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.661 ' N ' HG23 ' A' ' 45' ' ' ILE . 6.3 mt-10 -142.91 160.35 53.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.651 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.785 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.53 31.78 3.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -76.59 -30.83 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.79 47.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.948 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -85.88 81.93 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.46 1.66 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.647 ' N ' HD13 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -134.25 151.57 51.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 83' ' ' LEU . 7.5 t -139.9 152.37 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.1 t-20 36.14 -139.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -80.11 4.34 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.01 160.43 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 84.6 m-20 -156.11 92.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.669 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.9 m-85 -81.46 38.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 2.5 mm-40 -69.02 147.98 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER 81.27 -44.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.589 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -38.81 -61.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 22.66 58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -88.73 22.48 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 48.32 24.23 0.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.1 p30 -173.0 34.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.6 -17.29 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -57.07 -38.14 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -23.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -104.85 -49.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.0 -43.45 40.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -61.6 -20.83 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -76.18 -20.61 57.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.0 mm -66.51 -92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.859 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.44 -38.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.6 t -52.55 -60.6 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -132.14 -119.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 16.4 p -52.09 -173.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.82 114.63 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.03 151.84 39.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.905 HD12 ' HG2' ' A' ' 8' ' ' ARG . 1.4 mt -77.97 147.22 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.5 m 155.91 50.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.017 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.926 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -32.61 141.8 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.667 HG23 ' HB ' ' A' ' 1' ' ' THR . 98.0 m -137.46 138.91 40.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -133.23 151.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.48 36.61 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 57.94 171.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . 175.3 58.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -176.36 172.46 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 107.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.88 155.74 1.91 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.412 1.743 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 1.3 m -154.76 137.48 10.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -75.03 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.79 168.18 18.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.216 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.792 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 7.4 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 2' ' ' VAL . 10.9 t -50.33 133.99 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m -111.41 97.4 6.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.619 HD21 HG22 ' A' ' 39' ' ' VAL . 9.1 mt -50.89 175.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -70.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.3 ttt -166.03 -149.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.86 119.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.828 HH21 ' H ' ' A' ' 81' ' ' ILE . 22.7 ttm105 -142.41 74.58 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 174.49 128.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 54.64 173.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 59.22 177.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 81.39 90.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 93.55 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.3 pp -128.71 176.17 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -158.44 164.61 36.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.751 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pt -109.04 179.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.0 p -172.52 174.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -145.53 -162.12 9.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.6 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m 60.88 167.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 62.38 97.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -176.14 155.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -63.4 103.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.44 84.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 171.2 100.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.63 88.48 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.87 115.44 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.007 HG23 ' O ' ' A' ' 17' ' ' VAL . 26.4 mm -45.51 139.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.65 ' CE2' HG13 ' A' ' 17' ' ' VAL . 2.8 p90 -128.46 167.62 16.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 33' ' ' ILE . 5.0 tp -58.47 121.83 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.494 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.25 -45.03 89.09 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.403 1.064 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 33' ' ' ILE . 94.2 p -179.58 166.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.11 122.09 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.8 mmt -69.3 79.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.934 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 22.1 pttp -39.09 128.64 1.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.44 52.57 1.69 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -152.36 -125.7 1.15 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.506 ' HB2' ' HD2' ' A' ' 11' ' ' PHE . . . -80.2 -83.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD21 ' A' ' 4' ' ' LEU . 2.1 t -79.91 -19.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.934 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -71.14 -43.69 67.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -72.13 -20.78 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -48.65 79.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.91 -145.06 4.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' ILE . 52.1 mtt180 -112.58 51.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.736 HG22 HD13 ' A' ' 33' ' ' ILE . 31.0 mm -42.36 164.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.6 mt-10 -133.55 165.57 35.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -81.64 16.73 18.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 85' ' ' VAL . 32.4 t70 -58.65 -31.24 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.03 52.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.9 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.9 tm? -89.66 82.21 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.961 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.19 1.22 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.0 pt20 -137.26 151.12 48.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 83' ' ' LEU . 17.9 t -140.79 151.51 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.7 t-20 34.4 -138.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 4.37 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.0 t -80.26 159.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 25.8 p-10 -154.97 94.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.778 ' HE2' HD12 ' A' ' 71' ' ' LEU . 23.4 m-85 -80.29 22.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -55.05 150.24 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 80.34 -46.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -40.02 -64.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.55 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.6 t 27.05 47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 28.7 t30 -84.59 10.11 11.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' OD1' HD11 ' A' ' 28' ' ' ILE . 6.2 m-20 52.15 21.05 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.74 24.46 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.91 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -52.32 -43.8 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -26.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.9 -48.3 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.778 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.72 -43.66 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -63.81 -19.14 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -78.74 -21.07 48.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 78' ' ' THR . 2.2 mm -65.59 -91.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.861 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.09 -38.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.6 t -51.79 -64.11 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.2 mt-30 -130.45 -118.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 68.9 p -50.11 -177.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.71 114.04 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -75.02 147.06 33.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.861 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -75.94 143.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER 160.22 49.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.852 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.09 140.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' GLN . 93.0 m -134.19 136.92 44.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 51' ' ' LEU . 20.8 m -136.09 155.28 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.79 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.77 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 176.67 62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.68 -171.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 131.36 79.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.768 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.622 HG23 ' HD2' ' A' ' 93' ' ' PRO . 16.1 m -95.36 144.93 28.64 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 92' ' ' THR . 18.2 Cg_endo -74.99 -175.32 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -101.82 172.13 7.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' LEU . 91.0 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -156.33 155.95 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.859 HG12 HG23 ' A' ' 68' ' ' VAL . 1.6 pp -120.17 169.55 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.2 p -157.97 168.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.561 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' VAL . 46.0 mm -46.55 139.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.4 p90 -133.85 143.04 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -45.31 124.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -59.3 -43.18 97.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.448 ' C ' HD12 ' A' ' 33' ' ' ILE . 85.6 p -179.99 163.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 30' ' ' ILE . 2.7 mp -112.69 123.05 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.0 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 46' ' ' GLU . 36.1 mm . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.1 mt-10 -127.76 161.48 55.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.664 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.49 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.93 17.56 21.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 85' ' ' VAL . 22.7 t0 -59.03 -29.64 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 79.56 48.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.908 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.7 tm? -89.53 87.94 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.94 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.49 5.96 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.641 HE21 HG22 ' A' ' 84' ' ' THR . 5.6 pt20 -134.26 154.73 51.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 83' ' ' LEU . 5.4 t -140.28 152.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 39.84 -141.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.03 2.38 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -84.17 153.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -150.88 90.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 23.1 m-85 -76.59 52.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.98 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.06 -25.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -61.92 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t 36.6 54.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.7 t30 -91.69 22.11 4.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER 46.04 25.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CA ' HD11 ' A' ' 16' ' ' ILE . 52.7 m-20 -162.87 29.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.03 -16.94 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.859 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.21 -41.04 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.16 -24.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -110.1 -46.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.417 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.02 -42.56 49.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -19.03 65.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.36 -19.19 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -68.92 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.761 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.35 -37.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 t -55.85 -62.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.5 mt-30 -133.16 -134.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 33.4 p -41.06 160.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.8 121.88 5.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 146.49 32.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 HG12 ' A' ' 75' ' ' VAL . 3.3 mt -83.0 144.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.85 45.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.897 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -32.34 146.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.641 HG22 HE21 ' A' ' 53' ' ' GLN . 31.2 m -141.91 149.94 40.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.908 HG12 ' HA ' ' A' ' 51' ' ' LEU . 11.8 m -134.55 154.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.7 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -163.41 154.57 16.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.09 173.32 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.95 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.8 p -169.73 174.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.44 138.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.699 ' O ' HG12 ' A' ' 17' ' ' VAL . 26.1 p90 -130.88 142.98 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.836 HD13 HD12 ' A' ' 51' ' ' LEU . 6.0 tp -46.53 128.97 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.74 97.23 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.528 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.93 161.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.831 HD13 HG22 ' A' ' 45' ' ' ILE . 4.7 mp -129.31 135.13 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.831 HG22 HD13 ' A' ' 33' ' ' ILE . 23.6 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -134.77 170.44 11.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.03 -39.55 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.87 34.69 2.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -81.57 -28.69 33.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER 80.78 50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.2 tm? -94.3 83.55 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.46 3.99 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.8 pt20 -132.64 149.03 52.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 83' ' ' LEU . 25.0 t -133.51 153.37 36.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.0 t-20 38.52 -141.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 5.87 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.551 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.92 152.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -147.74 89.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.551 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 22.4 m-85 -76.13 52.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.01 -75.48 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -44.52 -28.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -56.69 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 33.64 49.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -91.56 28.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' ASN . 16.2 t0 38.85 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' ILE . 36.8 m-20 -166.62 31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -14.87 23.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 16' ' ' ILE . 2.5 t -58.81 -41.89 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.16 -24.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.14 -46.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -50.78 -40.72 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 19.2 ttt85 -66.0 -18.46 65.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.95 -19.78 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.1 mm -66.71 -92.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.58 -38.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.4 t -51.79 -60.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.22 -118.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' GLN . 64.5 p -52.4 -173.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.445 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.47 115.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.97 32.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 75' ' ' VAL . 1.4 mt -73.12 147.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.91 51.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 54' ' ' VAL . 6.7 mt -35.37 152.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.475 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 54.4 m -142.5 140.36 31.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 51' ' ' LEU . 10.4 m -137.28 153.69 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -167.5 164.23 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.763 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.4 pp -121.18 170.74 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 28' ' ' ILE . 11.6 p -165.51 173.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -44.99 136.82 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.778 . . . . 0.0 109.253 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' VAL . 6.8 m-85 -121.87 148.07 45.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.974 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -51.75 126.81 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.25 -49.29 69.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.889 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.4 p 180.0 166.78 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 32' ' ' SER . 2.7 mp -127.51 128.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.6 mt-10 -112.86 166.2 11.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.672 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -37.93 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.38 19.73 30.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 50' ' ' MET . 21.5 t70 -62.59 -24.86 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.619 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 78.0 49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -91.94 85.94 5.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.03 4.33 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -134.82 153.73 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.691 HG22 HD22 ' A' ' 83' ' ' LEU . 69.2 t -138.54 155.7 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 36.0 t30 37.68 -138.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -84.31 9.66 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 t -89.69 158.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 42.3 m-20 -150.46 88.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 24.6 m-85 -77.21 53.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.56 -55.75 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -14.83 27.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 2.5 tpp -73.19 -83.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.3 t 34.63 57.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.7 13.67 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.22 17.43 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.763 ' HA ' HD11 ' A' ' 16' ' ' ILE . 5.5 p30 -166.24 30.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 -18.01 9.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.718 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -53.24 -40.9 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -24.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 110.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.81 -48.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.82 -42.47 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -63.45 -19.13 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.43 -20.92 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.6 mm -66.86 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.26 -37.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -55.35 -63.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.5 OUTLIER -131.81 -132.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 40.8 p -41.4 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.33 121.56 4.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 145.73 31.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.799 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.769 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -80.89 146.53 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.15 48.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.691 HD22 HG22 ' A' ' 54' ' ' VAL . 6.2 mt -35.65 151.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.484 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 31.7 m -140.72 143.49 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.945 HG12 ' HA ' ' A' ' 51' ' ' LEU . 21.9 m -136.11 153.06 31.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.541 1.15 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.414 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -164.78 156.01 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.796 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -116.2 174.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.2 p -167.38 172.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.563 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.1 mm -49.32 138.47 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.665 ' O ' HG12 ' A' ' 17' ' ' VAL . 5.8 p90 -132.39 143.59 49.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.954 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -47.19 122.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.83 -43.93 87.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 p -179.97 169.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 45' ' ' ILE . 5.4 mp -124.22 134.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 33' ' ' ILE . 37.3 mm . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.1 mt-10 -117.96 163.85 22.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.618 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.94 15.12 33.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -54.39 -31.23 54.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.374 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 81.05 46.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.954 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -86.34 81.48 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.911 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.41 1.67 7.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.528 ' HG3' ' C ' ' A' ' 84' ' ' THR . 1.2 pt20 -132.57 153.44 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.4 t -139.32 153.94 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 38.1 -141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.83 2.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.9 153.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -151.72 89.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.7 m-85 -77.39 51.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.2 mm-40 -65.18 -75.75 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.71 -29.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.645 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.05 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 35.43 49.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' N ' ' A' ' 66' ' ' ASP . 8.5 t30 -91.15 29.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 t0 39.77 29.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 64' ' ' ASN . 34.3 m-20 -163.21 28.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -15.09 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.796 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.01 -41.79 87.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -25.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -108.89 -46.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.58 -42.53 44.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.12 -20.18 63.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -76.74 -22.81 53.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.7 mm -66.71 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.74 -38.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -53.26 -62.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.3 mt-30 -137.9 -129.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 81.7 p -40.27 160.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.29 118.72 4.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.99 145.97 32.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 82' ' ' SER . 2.6 mt -79.65 145.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 155.2 46.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.412 1.07 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.865 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.05 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.528 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 53.5 m -136.2 147.69 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 51' ' ' LEU . 1.2 m -142.17 155.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.6 1.188 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.497 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.92 154.45 32.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.922 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.86 172.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -163.32 173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.934 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.0 mm -47.35 140.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.739 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 15.4 p90 -132.02 151.3 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 33' ' ' ILE . 4.4 tp -52.64 120.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.99 -45.24 72.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.486 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m 179.98 166.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 0.723 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 30' ' ' ILE . 2.7 mp -113.71 123.99 69.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 HD13 ' A' ' 33' ' ' ILE . 19.4 mm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.9 mt-10 -129.76 161.39 59.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.96 -34.68 3.68 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.51 18.43 14.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.8 OUTLIER -57.5 -30.96 65.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 0.816 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 3.0 tpp 85.62 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 83' ' ' LEU . 2.4 tm? -88.57 83.55 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.947 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.25 1.49 5.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.665 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.6 pt20 -137.49 153.64 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.895 HG22 ' HA ' ' A' ' 83' ' ' LEU . 13.8 t -139.75 153.01 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.3 t-20 37.86 -140.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.73 0.9 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.73 150.09 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -150.09 88.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.658 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 24.0 m-85 -80.19 50.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.3 mt-10 -62.08 -74.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.33 -28.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.658 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.13 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.0 t 31.0 52.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -90.95 27.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 41.0 29.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 64' ' ' ASN . 7.6 p30 -166.79 30.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.168 . . . . 0.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -14.65 22.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.922 HG23 HG12 ' A' ' 16' ' ' ILE . 2.2 t -56.14 -42.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -42.91 -25.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.46 -47.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.45 -43.41 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -62.5 -18.93 62.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 pt-20 -78.81 -21.82 47.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.233 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.41 -91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -38.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.4 t -51.74 -61.64 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -133.11 -121.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLN . 23.5 p -49.87 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.13 117.77 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.562 1.164 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 148.26 35.17 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 75' ' ' VAL . 2.8 mt -78.66 144.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER 155.6 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -30.42 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 53' ' ' GLN . 85.3 m -133.64 143.25 48.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.073 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 51' ' ' LEU . 16.8 m -138.34 155.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.45 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -155.39 165.59 36.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.3 pp -129.22 176.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.785 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.2 p -167.84 168.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' VAL . 36.4 mm -46.07 137.86 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.553 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 21.1 p90 -132.31 142.99 49.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.862 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -43.56 123.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -46.31 92.26 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.413 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -179.92 169.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.657 HD13 HG22 ' A' ' 45' ' ' ILE . 4.4 mp -126.42 129.07 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.657 HG22 HD13 ' A' ' 33' ' ' ILE . 18.4 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -127.44 162.48 48.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -40.04 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.808 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.74 36.75 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.6 t0 -81.95 -24.09 35.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.953 ' SD ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 77.24 50.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.93 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.0 tm? -92.31 84.97 5.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.957 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.56 5.43 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.52 HE21 HG22 ' A' ' 84' ' ' THR . 5.5 pt20 -134.28 153.1 52.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.824 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.3 t -139.45 154.82 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 14.9 t30 38.29 -142.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -77.23 2.19 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.18 154.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -154.57 90.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CG ' ' HE2' ' A' ' 62' ' ' MET . 22.5 m-85 -78.69 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.4 mm-40 -64.93 -74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.7 -27.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.554 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -60.85 -84.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 34.98 57.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.99 9.93 18.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.9 t0 64.32 19.6 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.817 ' HA ' HD11 ' A' ' 16' ' ' ILE . 16.8 p30 -162.33 29.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.82 -18.25 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -55.05 -39.68 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.86 -24.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.696 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -107.65 -47.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -43.77 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.8 ttp180 -61.38 -20.83 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.382 1.051 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.696 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -76.74 -20.57 56.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.58 -92.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.864 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.85 -38.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.9 t -53.54 -60.94 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.0 mt-30 -130.42 -121.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' GLN . 31.9 p -51.43 -174.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.348 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.423 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.12 116.84 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.06 150.24 37.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.864 HD11 HG12 ' A' ' 75' ' ' VAL . 1.6 mt -77.77 144.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 158.54 49.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.34 145.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.52 HG22 HE21 ' A' ' 53' ' ' GLN . 56.1 m -138.36 142.92 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -136.54 153.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.953 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 83' ' ' LEU . 38.6 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.43 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.694 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.8 pp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' GLY . 59.5 p -150.89 152.97 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.929 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.83 171.71 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.2 p -163.29 170.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.085 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 34.3 mm -44.21 138.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.644 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.8 p90 -129.98 142.94 50.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.917 HD13 HD12 ' A' ' 51' ' ' LEU . 5.6 tp -46.76 126.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -64.05 -40.63 98.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.716 ' C ' HD12 ' A' ' 33' ' ' ILE . 84.1 p -179.69 163.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.53 120.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.711 HG22 HD13 ' A' ' 33' ' ' ILE . 9.8 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.3 mt-10 -131.15 163.7 47.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.736 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.01 -37.31 2.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.29 30.24 5.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -76.74 -26.05 54.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.28 48.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.975 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.1 tm? -92.54 84.78 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.76 4.21 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.585 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.0 pt20 -133.41 155.79 48.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.1 t -139.96 150.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 28.5 t30 39.23 -139.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.1 3.17 18.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.501 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -85.8 147.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -147.29 88.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.662 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.1 m-85 -79.6 49.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -65.14 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.62 -25.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.662 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -58.59 -76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.08 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 1.4 t 30.63 51.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.7 t-20 -91.05 23.18 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 42.9 27.59 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 64' ' ' ASN . 21.6 m-20 -164.92 29.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.43 -16.5 15.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.929 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -56.22 -43.46 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.37 -25.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -108.96 -43.72 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -39.11 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.64 -16.32 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -82.82 -19.99 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -64.78 -89.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.657 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.9 -37.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.368 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -54.89 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -135.06 -131.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 53.7 p -40.04 160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.7 4.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.03 145.51 31.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -82.53 145.19 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 83' ' ' LEU . 3.8 t 156.79 47.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.845 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -28.43 139.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.453 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 57.6 m -134.38 141.39 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.975 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.8 m -134.12 154.38 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 47.8 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -167.15 155.61 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.887 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -109.13 172.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.987 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.4 p -163.31 179.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.703 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' VAL . 40.1 mm -49.24 135.88 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 27' ' ' GLY . 2.9 m-85 -119.1 163.87 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 33' ' ' ILE . 5.3 tp -64.55 122.29 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.69 -49.76 56.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.92 164.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.875 HD13 HG22 ' A' ' 45' ' ' ILE . 4.5 mp -128.25 120.67 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.875 HG22 HD13 ' A' ' 33' ' ' ILE . 15.3 mm . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.4 mt-10 -134.88 161.15 65.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.594 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -34.08 4.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.05 17.06 53.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.753 ' OD1' HG11 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -57.37 -25.34 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.2 ttt 81.59 54.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.964 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -92.82 85.19 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.923 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.46 5.77 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.4 pt20 -138.07 148.37 44.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 83' ' ' LEU . 19.1 t -137.81 152.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 23.0 t30 38.68 -138.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.456 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 4.7 p-10 -83.25 7.63 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -85.83 160.22 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.0 p30 -152.4 90.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 21.8 m-85 -80.3 52.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.8 mt-10 -75.56 -51.14 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -10.17 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.4 ttp -77.34 -84.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 31.47 40.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 22.1 t30 -58.64 -66.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.45 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.887 ' HA ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -139.46 47.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.41 -24.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 16' ' ' ILE . 1.5 t -42.8 -43.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -41.53 -26.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -106.2 -48.95 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.7 -43.47 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 4.9 ttt85 -62.45 -19.32 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt-20 -78.48 -20.64 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.3 mm -63.8 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.962 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.98 -38.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.7 t -53.84 -62.45 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.5 mt-30 -127.78 -118.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.6 p -52.19 -173.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.0 115.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.04 149.89 37.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.962 HD11 HG12 ' A' ' 75' ' ' VAL . 2.3 mt -76.68 144.47 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 157.98 47.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 0.0 110.036 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -33.94 141.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 53' ' ' GLN . 99.5 m -135.07 139.05 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.964 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.6 m -137.03 155.54 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.0 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.455 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' GLY . 54.0 p -163.76 155.85 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.982 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -114.21 171.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.5 p -158.91 169.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.2 mm -49.04 140.86 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . 10.2 p90 -136.6 154.02 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.5 tp -52.45 119.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.35 -46.04 81.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.4 p 179.97 169.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' CD1' HG22 ' A' ' 45' ' ' ILE . 5.2 mp -122.31 138.32 52.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 29.9 mm . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -120.96 162.03 37.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.619 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.67 14.38 36.66 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -53.81 -30.95 47.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.604 0.826 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER 82.89 49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.787 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.3 tm? -86.05 83.33 7.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.28 4.64 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.502 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.3 pt20 -135.68 142.56 45.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.821 HG12 HD22 ' A' ' 55' ' ' ASN . 75.7 t -138.18 148.82 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.821 HD22 HG12 ' A' ' 54' ' ' VAL . 8.7 p30 42.64 -139.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -82.35 6.79 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.81 150.33 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -146.83 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 24.0 m-85 -79.09 50.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.18 -45.02 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -0.95 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -86.11 -73.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.944 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.543 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.4 t 28.33 46.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.4 t30 -91.59 26.78 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t0 39.88 30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' ASN . 25.0 m-20 -163.92 30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -15.04 21.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 16' ' ' ILE . 3.0 t -59.71 -42.84 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -26.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -107.52 -44.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD21 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -50.38 -41.57 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.2 ttt180 -64.14 -17.62 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -80.33 -20.09 45.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.456 HD13 ' HA3' ' A' ' 79' ' ' GLY . 1.8 mm -66.92 -92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.74 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.88 -38.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 4.1 t -51.24 -59.37 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -135.73 -118.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 65.2 p -51.6 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.456 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 77.03 115.09 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.76 31.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.74 HD11 HG12 ' A' ' 75' ' ' VAL . 1.5 mt -75.64 145.6 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 157.05 52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -35.71 145.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.487 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 76.0 m -141.26 139.94 33.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 51' ' ' LEU . 2.3 m -138.21 156.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.218 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.924 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 p -160.19 154.92 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.921 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.66 172.82 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 p -163.79 172.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.585 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.955 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.5 mm -53.04 139.01 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.679 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 24.7 p90 -131.11 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.906 HD13 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -50.09 127.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.19 94.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.556 ' C ' HD12 ' A' ' 33' ' ' ILE . 2.8 m -178.88 157.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 30' ' ' ILE . 2.3 mp -109.86 121.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 16.4 mm . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -121.65 163.22 32.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.08 -37.34 2.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 21.59 11.3 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.608 ' OD1' HG11 ' A' ' 85' ' ' VAL . 9.0 t70 -63.31 -27.89 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 81.59 52.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.906 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -91.6 86.82 6.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.97 4.19 5.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.38 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -135.41 154.08 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 12.8 t -140.12 150.97 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 16.6 t30 42.08 -140.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.445 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -81.04 6.57 13.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.94 155.15 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -147.92 89.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.623 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 15.6 m-85 -79.5 51.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.82 -55.08 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.19 -14.85 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 1.2 tpp -67.07 -73.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.4 t 24.55 51.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 66' ' ' ASP . 7.6 t30 -92.03 25.88 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.53 29.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' ASN . 5.7 p30 -170.57 32.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.71 26.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.921 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -57.46 -42.21 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -43.42 -25.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.734 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.47 -44.81 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.509 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -50.97 -41.57 59.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.8 OUTLIER -65.59 -17.92 64.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -80.89 -20.05 43.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.5 mm -65.03 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.905 HG12 HD11 ' A' ' 81' ' ' ILE . 3.3 m -38.22 -43.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -47.3 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.9 mt-30 -132.29 -118.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 77' ' ' GLN . 63.5 p -52.12 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.37 117.88 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -74.99 147.35 33.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.905 HD11 HG12 ' A' ' 75' ' ' VAL . 2.4 mt -78.1 145.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.82 45.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.932 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.36 144.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.474 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 51.5 m -136.53 144.77 44.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.6 m -136.77 153.89 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 95.3 t . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.445 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.471 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -163.06 165.41 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.069 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.894 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -115.68 169.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.8 p -157.23 171.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 17' ' ' VAL . 21.2 mm -50.96 137.59 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.616 ' CE2' HG13 ' A' ' 17' ' ' VAL . 1.3 p90 -126.49 163.41 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 47' ' ' PRO . 5.5 tp -55.45 124.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.495 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.75 -48.56 76.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.96 158.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.96 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 32' ' ' SER . 1.4 mp -107.84 119.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 mtp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.4 mt-10 -126.39 162.36 46.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.82 2.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.21 11.11 38.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -48.7 -33.5 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.593 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 84.57 48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.967 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.2 tm? -81.54 88.65 6.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.966 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.7 5.88 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.577 HE22 ' HB2' ' A' ' 86' ' ' ALA . 3.9 pt20 -137.77 144.56 41.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 83' ' ' LEU . 73.4 t -142.02 151.28 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.754 HD21 HG23 ' A' ' 57' ' ' VAL . 15.9 p-10 33.92 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.95 8.97 7.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.754 HG23 HD21 ' A' ' 55' ' ' ASN . 2.4 t -87.4 155.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -145.2 88.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.485 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 18.1 m-85 -80.0 54.51 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.55 -69.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -24.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.485 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 tpp -64.04 -85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 63' ' ' SER . 3.5 t 35.83 49.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.73 155.54 16.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 2.4 t0 -75.63 54.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 2.7 p30 156.21 43.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.56 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.894 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -58.35 -39.27 73.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -44.5 -23.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.694 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -103.68 -49.79 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -49.09 -43.55 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.75 -20.26 63.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.694 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -76.22 -21.53 56.31 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -66.46 -92.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 1.106 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.64 -37.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 11.4 t -55.59 -66.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.2 mt-30 -131.04 -131.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 41.4 p -41.7 158.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 110.436 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.71 117.04 3.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.07 149.94 37.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 1.106 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -81.97 145.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.4 50.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.965 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.728 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -37.13 145.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 88.1 m -146.1 143.26 29.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.967 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.0 m -130.8 155.46 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' HB2' HE22 ' A' ' 53' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.442 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.5 156.55 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.951 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.688 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.4 173.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.966 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.0 p -161.36 175.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.654 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.8 mm -44.92 139.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.747 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.8 p90 -135.16 152.05 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.685 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.7 tp -49.85 124.89 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.34 -46.13 93.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.5 m -177.08 164.87 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -118.48 120.77 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 46' ' ' GLU . 43.4 mm . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 45' ' ' ILE . 1.7 mt-10 -120.28 163.85 26.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.0 -37.77 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 33.14 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -75.77 -29.05 58.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.527 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 83.37 45.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.859 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.4 tm? -86.45 87.48 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.357 1.036 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -135.39 9.03 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.613 HE22 ' HB2' ' A' ' 86' ' ' ALA . 4.3 pt20 -137.19 152.0 49.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 83' ' ' LEU . 25.5 t -141.07 155.05 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 39.84 -142.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.19 7.09 10.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -88.1 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.71 90.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 24.9 m-85 -75.93 51.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.66 -61.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.92 -18.01 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.602 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.46 -74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 27.79 53.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' ASP . 6.5 t-20 -91.6 26.01 2.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 65.5 t0 42.44 28.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' ILE . 45.4 m-20 -167.44 31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.76 -14.77 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.688 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -22.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -109.46 -45.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.59 -41.71 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.9 OUTLIER -65.39 -19.16 65.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.26 -18.68 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.13 -93.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.25 -38.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.8 t -52.26 -58.51 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.6 mt-30 -134.43 -119.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' GLN . 15.1 p -51.37 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.19 119.37 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -75.71 143.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.45 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.857 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.79 147.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 53.7 m -139.77 144.96 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.859 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.6 m -135.8 152.45 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.613 ' HB2' HE22 ' A' ' 53' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -157.81 162.83 38.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.947 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -124.7 171.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.1 p -161.36 169.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.55 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.9 mm -52.12 138.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.658 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 23.5 p90 -131.23 144.24 51.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.893 HD13 HD12 ' A' ' 51' ' ' LEU . 6.1 tp -46.51 126.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 109.223 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.08 94.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.61 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m -178.6 159.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.037 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 30' ' ' ILE . 2.0 mp -111.48 122.19 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.6 mm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.2 mt-10 -126.27 162.33 46.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.04 -39.66 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.43 35.41 3.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 50' ' ' MET . 42.3 t0 -80.33 -25.96 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.59 53.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.893 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -94.87 90.34 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.948 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -133.46 9.1 3.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 3.9 pt20 -135.59 152.76 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.749 HG23 HD21 ' A' ' 71' ' ' LEU . 78.7 t -137.04 155.37 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' VAL . 23.8 t30 36.08 -140.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.24 5.04 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -84.83 156.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -152.1 89.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.638 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.7 m-85 -77.96 51.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -66.15 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -51.17 -22.38 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.638 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.93 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.3 t 34.15 49.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.9 t30 -90.4 28.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 39.68 29.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 64' ' ' ASN . 6.6 p30 -162.92 28.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.95 -14.5 23.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.947 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -59.98 -41.63 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -25.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.621 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.08 -44.26 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.749 HD21 HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -52.45 -40.85 62.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.3 ttp180 -65.89 -17.81 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.621 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -79.75 -21.27 44.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -68.15 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -39.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.7 t -52.61 -64.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.7 mt-30 -132.81 -129.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 69.0 p -43.0 166.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.19 120.42 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.432 1.083 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.01 145.08 30.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.7 mt -78.59 146.83 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.5 49.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.654 HD22 HG22 ' A' ' 54' ' ' VAL . 6.3 mt -35.69 152.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 52.1 m -141.16 144.23 34.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 51' ' ' LEU . 4.0 m -133.18 152.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.477 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.422 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.3 pp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -171.82 159.91 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.008 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -112.17 173.58 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.4 p -160.51 168.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.3 mm -53.61 137.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.651 ' CE2' HG13 ' A' ' 17' ' ' VAL . 8.8 p90 -127.2 158.55 36.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.875 HD13 HD12 ' A' ' 51' ' ' LEU . 4.8 tp -54.47 126.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -63.7 -43.87 97.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 m 179.84 157.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.839 HD13 HG22 ' A' ' 45' ' ' ILE . 4.4 mp -125.4 129.2 72.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.839 HG22 HD13 ' A' ' 33' ' ' ILE . 16.5 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.4 mt-10 -127.16 162.34 48.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.66 23.0 9.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -65.51 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 83.37 48.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.4 tm? -85.2 81.09 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.72 7.75 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.2 pt20 -136.51 148.71 47.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 83' ' ' LEU . 24.1 t -140.46 150.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.5 t-20 35.49 -139.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.67 4.89 14.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.13 157.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.407 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 8.1 m120 -151.34 89.88 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 21.2 m-85 -82.98 54.54 2.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.547 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.1 mt-10 -75.84 -52.44 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -11.21 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.7 tpp -73.1 -83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.4 t 30.22 42.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' MET . 39.7 t30 -65.98 -66.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 8.7 t0 166.09 -37.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.33 46.78 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.09 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.008 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -51.23 -41.16 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -43.5 -24.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -106.61 -48.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.01 -41.52 47.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 3.7 tpt180 -64.68 -18.97 65.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -79.06 -21.32 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.472 HD13 ' HA3' ' A' ' 79' ' ' GLY . 3.2 mm -63.34 -92.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.76 -39.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 8.1 t -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.0 mt-30 -126.37 -116.52 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 77' ' ' GLN . 73.5 p -50.62 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.472 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 71.65 115.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.01 147.68 34.22 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 75' ' ' VAL . 4.9 mt -73.49 144.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 4.6 t 155.69 44.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.803 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' GLN . 54.8 m -140.87 146.93 38.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.88 HG12 ' HA ' ' A' ' 51' ' ' LEU . 19.1 m -133.48 153.38 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.358 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -161.18 158.61 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.836 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.43 174.51 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.935 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.7 p -159.25 170.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.8 mm -50.35 139.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 17' ' ' VAL . 3.7 p90 -134.01 160.52 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.973 HD13 HD12 ' A' ' 51' ' ' LEU . 4.6 tp -54.55 121.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.36 -49.6 63.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 33' ' ' ILE . 11.3 p 179.92 170.77 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 110.057 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.489 ' N ' HD12 ' A' ' 33' ' ' ILE . 4.8 mp -126.84 138.09 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 16.6 mtm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 10.5 mm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mt-10 -126.69 162.55 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.587 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.96 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.809 ' OD1' HG11 ' A' ' 85' ' ' VAL . 17.0 t70 -54.09 -30.38 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 0.779 . . . . 0.0 109.306 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER 82.33 50.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.34 82.7 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.971 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.9 1.76 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.648 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.8 pt20 -135.88 154.25 51.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.846 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.5 t -140.39 151.16 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 5.5 t-20 38.89 -140.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 0.38 21.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.21 147.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -145.88 89.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 21.4 m-85 -78.15 46.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.7 mm-40 -57.13 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 m-20 -39.94 -44.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.501 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -46.9 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 45.47 23.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 62' ' ' MET . 3.9 t-20 -50.79 163.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 33.5 t70 -83.8 44.92 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 160.45 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.75 -14.64 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.836 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -60.39 -40.27 83.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.69 -49.75 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.828 HD11 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -48.83 -42.92 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.45 -21.87 64.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.723 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -74.84 -19.52 60.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.5 mm -69.27 -91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.86 -37.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -53.23 -57.93 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.9 mt-30 -137.02 -123.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 72.7 p -46.52 174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.25 121.36 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 154.47 42.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 75' ' ' VAL . 3.6 mt -85.71 146.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 2.5 p 151.82 45.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.846 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.72 144.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.468 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 85.3 m -130.76 142.3 50.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.857 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.8 m -136.23 154.93 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.8 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.506 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -157.45 156.17 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.942 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -121.89 174.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 29' ' ' TYR . 8.5 p -169.66 174.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 35.3 mm -60.9 131.62 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.926 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.7 m-85 -124.04 143.62 50.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.081 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -52.12 120.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.09 35.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.7 p -179.83 168.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.786 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 32' ' ' SER . 1.8 mp -113.44 122.15 67.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 7.7 mm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.7 mt-10 -123.04 165.24 22.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.581 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -31.47 6.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.17 17.85 35.46 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.38 -32.34 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.73 48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.081 HD12 HD13 ' A' ' 30' ' ' ILE . 1.5 tm? -87.3 77.25 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.54 -0.08 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.7 pt20 -134.95 155.08 51.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 18.7 t -140.32 153.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.4 t-20 37.77 -140.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 2.39 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.4 153.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -151.66 89.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 23.1 m-85 -80.2 48.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 52' ' ' LEU . 5.8 mm-40 -63.04 -68.68 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.38 -31.03 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.645 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -57.83 -81.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 32.58 53.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ASP . 16.3 t30 -91.63 26.49 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 28' ' ' ILE . 54.1 t0 45.52 26.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.082 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' HA ' HD11 ' A' ' 16' ' ' ILE . 4.4 p30 -164.31 29.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.61 5.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -54.1 -42.52 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -25.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.59 -47.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.608 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -49.34 -43.67 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.46 63.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -77.21 -19.53 56.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.215 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.6 mm -67.89 -91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.65 -37.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.4 -61.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.39 -130.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 77.5 p -43.21 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.49 115.56 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.0 146.69 32.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -78.24 146.76 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.6 m 154.14 47.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -30.09 142.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.465 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 87.1 m -132.03 141.52 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 51' ' ' LEU . 5.3 m -137.32 155.13 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.536 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.0 pp . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -159.54 157.72 30.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.823 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -112.04 175.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.906 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -166.85 172.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.56 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.24 134.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.256 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.68 ' CE2' HG13 ' A' ' 17' ' ' VAL . 11.5 p90 -127.2 159.15 35.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.486 1.116 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 51' ' ' LEU . 5.8 tp -55.29 123.93 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -59.96 -43.69 97.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.518 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 180.0 160.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.954 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.785 HD11 HG21 ' A' ' 30' ' ' ILE . 4.3 mp -123.52 121.02 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.739 HG22 HD13 ' A' ' 33' ' ' ILE . 31.5 mm . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -133.8 161.51 63.3 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.01 -34.42 3.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.78 19.6 19.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -60.87 -29.89 69.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.32 48.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.27 84.52 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.01 0.49 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.7 pt20 -131.6 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.8 t -139.97 150.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.5 t-20 34.7 -137.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -80.86 4.14 20.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 1.8 t -80.11 160.17 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 35.9 m120 -155.56 94.44 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.4 m-85 -81.23 22.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -53.58 152.36 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.3 t-20 77.89 -50.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -35.82 -64.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 27.25 54.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.9 12.33 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.92 20.72 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -164.1 29.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -14.71 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.823 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -55.73 -41.26 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -25.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.41 -47.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -49.75 -43.18 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.8 tpt180 -63.12 -19.02 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -78.78 -20.56 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.453 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.2 mm -65.76 -92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.54 -38.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.9 t -51.97 -62.56 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -130.71 -116.74 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.4 p -52.58 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.453 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 70.93 115.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 148.59 35.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.956 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -76.48 146.25 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 3.5 t 155.32 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.915 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -33.44 145.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 91.0 m -140.02 143.29 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.936 HG12 ' HA ' ' A' ' 51' ' ' LEU . 14.9 m -134.88 153.94 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.268 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 23.2 p -159.8 152.26 21.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.821 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -110.01 176.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.832 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.1 p -167.06 170.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.439 1.087 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -51.51 140.38 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.4 p90 -131.38 142.89 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.783 HG21 HD11 ' A' ' 33' ' ' ILE . 5.2 tp -48.27 123.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.37 -43.4 95.74 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 33' ' ' ILE . 3.9 p -179.0 151.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.827 ' N ' HD12 ' A' ' 33' ' ' ILE . 1.8 mp -114.3 123.16 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG21 HG12 ' A' ' 33' ' ' ILE . 40.5 mm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -127.51 164.62 35.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.0 Cg_endo -75.06 -34.79 3.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.77 22.93 15.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -64.99 -26.06 68.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER 85.71 54.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 83' ' ' LEU . 1.5 tm? -88.35 78.67 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.24 0.8 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' THR . 3.2 pt20 -138.16 152.22 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 83' ' ' LEU . 42.1 t -140.32 157.38 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.0 t-20 39.17 -141.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 7.93 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.55 159.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 76.9 m-20 -156.19 90.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.592 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.4 m-85 -77.32 52.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.63 -65.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -17.95 7.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.592 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -70.62 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 26.46 52.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.957 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -91.31 28.76 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 41.09 28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 16' ' ' ILE . 23.8 m-20 -166.95 30.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -14.75 25.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.88 -38.9 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -22.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -110.38 -46.91 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.03 -41.89 48.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -64.12 -19.61 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.21 -19.53 53.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.59 -92.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.958 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.29 -38.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.2 t -52.05 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -133.67 -118.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.223 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 50.7 p -52.06 -173.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.6 118.22 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.57 35.33 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.958 HD11 HG12 ' A' ' 75' ' ' VAL . 3.0 mt -77.17 146.46 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.4 m 153.36 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.89 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.12 144.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 53' ' ' GLN . 50.5 m -130.24 148.81 52.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 51' ' ' LEU . 3.0 m -144.58 155.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.5 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.444 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.679 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.28 152.37 30.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -107.42 177.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.2 p -173.36 175.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.624 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' VAL . 20.7 mm -53.96 136.59 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 2.1 p90 -137.07 158.94 43.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 33' ' ' ILE . 4.3 tp -54.8 119.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.88 -43.97 96.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.532 ' C ' HD12 ' A' ' 33' ' ' ILE . 92.6 p 179.96 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.972 HD13 ' CG2' ' A' ' 45' ' ' ILE . 4.7 mp -130.41 127.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.6 mmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.972 ' CG2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.661 ' N ' HG23 ' A' ' 45' ' ' ILE . 6.3 mt-10 -142.91 160.35 53.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.651 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.53 31.78 3.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -76.59 -30.83 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.79 47.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.948 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -85.88 81.93 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.46 1.66 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.842 HE22 ' HB2' ' A' ' 86' ' ' ALA . 4.6 pt20 -134.25 151.57 51.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 83' ' ' LEU . 7.5 t -139.9 152.37 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.1 t-20 36.14 -139.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -80.11 4.34 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.01 160.43 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 84.6 m-20 -156.11 92.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.669 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.9 m-85 -81.46 38.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 2.5 mm-40 -69.02 147.98 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER 81.27 -44.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.589 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -38.81 -61.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 22.66 58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ASP . 9.5 t-20 -88.73 22.48 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 48.32 24.23 0.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.1 p30 -173.0 34.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.6 -17.29 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.65 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -57.07 -38.14 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -23.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -104.85 -49.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.0 -43.45 40.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -61.6 -20.83 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -76.18 -20.61 57.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.0 mm -66.51 -92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.859 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.44 -38.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.6 t -52.55 -60.6 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -132.14 -119.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 16.4 p -52.09 -173.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.82 114.63 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.03 151.84 39.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.859 HD11 HG12 ' A' ' 75' ' ' VAL . 1.4 mt -77.97 147.22 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.5 m 155.91 50.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.017 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.926 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -32.61 141.8 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 98.0 m -137.46 138.91 40.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -133.23 151.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.842 ' HB2' HE22 ' A' ' 53' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.3 pp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -158.44 164.61 36.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.751 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pt -109.04 179.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.0 p -172.52 174.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 17' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 1.007 HG23 ' O ' ' A' ' 17' ' ' VAL . 26.4 mm -45.51 139.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.65 ' CE2' HG13 ' A' ' 17' ' ' VAL . 2.8 p90 -128.46 167.62 16.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 33' ' ' ILE . 5.0 tp -58.47 121.83 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.494 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.25 -45.03 89.09 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.403 1.064 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 33' ' ' ILE . 94.2 p -179.58 166.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.11 122.09 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.736 HG22 HD13 ' A' ' 33' ' ' ILE . 31.0 mm . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.6 mt-10 -133.55 165.57 35.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.64 16.73 18.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 85' ' ' VAL . 32.4 t70 -58.65 -31.24 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.03 52.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.9 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.9 tm? -89.66 82.21 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.961 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.19 1.22 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.0 pt20 -137.26 151.12 48.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 83' ' ' LEU . 17.9 t -140.79 151.51 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.7 t-20 34.4 -138.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 4.37 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.0 t -80.26 159.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 25.8 p-10 -154.97 94.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.778 ' HE2' HD12 ' A' ' 71' ' ' LEU . 23.4 m-85 -80.29 22.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -55.05 150.24 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 80.34 -46.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -40.02 -64.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.55 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.6 t 27.05 47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 28.7 t30 -84.59 10.11 11.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.531 ' OD1' HD11 ' A' ' 28' ' ' ILE . 6.2 m-20 52.15 21.05 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.74 24.46 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.91 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -52.32 -43.8 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -26.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.9 -48.3 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.778 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.72 -43.66 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -63.81 -19.14 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -78.74 -21.07 48.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 78' ' ' THR . 2.2 mm -65.59 -91.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.861 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.09 -38.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.6 t -51.79 -64.11 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.2 mt-30 -130.45 -118.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 68.9 p -50.11 -177.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.71 114.04 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -75.02 147.06 33.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.861 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -75.94 143.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER 160.22 49.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.852 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.09 140.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' GLN . 93.0 m -134.19 136.92 44.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 51' ' ' LEU . 20.8 m -136.09 155.28 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.975 ' N ' HG22 ' A' ' 85' ' ' VAL . 4.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' LEU . 91.0 t -143.69 135.22 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -106.11 96.67 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD13 ' CD ' ' A' ' 7' ' ' GLU . 4.6 mt -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -134.12 109.14 8.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.5 mtt 60.55 125.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.686 ' CD ' HD13 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -158.26 -47.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 12.0 mtm105 -40.29 140.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.4 t60 78.83 -60.95 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -48.35 173.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.617 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.92 154.5 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.04 138.83 19.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.44 ' O ' ' CG ' ' A' ' 34' ' ' MET . . . -120.99 83.31 0.36 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -119.46 171.84 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -156.33 155.95 33.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.859 HG12 HG23 ' A' ' 68' ' ' VAL . 1.6 pp -120.17 169.55 11.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.914 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.2 p -157.97 168.55 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.561 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -136.61 -167.54 11.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -164.44 -64.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.275 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 0.6 OUTLIER 164.82 140.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' H ' ' ND2' ' A' ' 21' ' ' ASN . 2.4 p30 -102.54 142.96 32.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -175.12 -51.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 109.309 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.7 ttt180 -162.14 115.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . 36.23 61.9 0.78 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 162.51 122.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' CA ' ' O ' ' A' ' 20' ' ' SER . . . 149.86 -42.33 0.79 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.35 119.17 4.57 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' VAL . 46.0 mm -46.55 139.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' O ' HG12 ' A' ' 17' ' ' VAL . 28.4 p90 -133.85 143.04 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.876 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -45.31 124.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -59.3 -43.18 97.48 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.448 ' C ' HD12 ' A' ' 33' ' ' ILE . 85.6 p -179.99 163.24 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.79 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.671 HG22 ' H ' ' A' ' 35' ' ' LYS . 2.7 mp -112.69 123.05 67.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.359 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.44 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 3.7 mmt -41.93 -26.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.825 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 0.1 OUTLIER 62.25 20.38 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.512 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -63.57 -114.07 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -125.8 -6.07 6.14 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.21 -88.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 0.758 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG1' HG13 ' A' ' 45' ' ' ILE . 15.2 t -68.58 -16.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.825 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -72.2 -47.6 49.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.3 -26.73 63.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.9 -48.59 81.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.32 -130.91 2.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.549 1.156 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 45' ' ' ILE . 24.5 mtp180 -121.8 55.18 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 0.792 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.475 HG13 ' CG1' ' A' ' 39' ' ' VAL . 36.1 mm -41.85 163.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.1 mt-10 -127.76 161.48 55.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.664 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.49 2.58 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.93 17.56 21.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.525 ' OD2' HG11 ' A' ' 85' ' ' VAL . 22.7 t0 -59.03 -29.64 67.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.481 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 79.56 48.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.908 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.7 tm? -89.53 87.94 7.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.94 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.49 5.96 4.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.641 HE21 HG22 ' A' ' 84' ' ' THR . 5.6 pt20 -134.26 154.73 51.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.897 HG22 ' HA ' ' A' ' 83' ' ' LEU . 5.4 t -140.28 152.59 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 39.84 -141.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.03 2.38 17.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.558 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -84.17 153.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -150.88 90.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.558 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 23.1 m-85 -76.59 52.0 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.98 -68.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -48.06 -25.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.527 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -61.92 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.489 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.9 t 36.6 54.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.944 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.422 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.7 t30 -91.69 22.11 4.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER 46.04 25.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CA ' HD11 ' A' ' 16' ' ' ILE . 52.7 m-20 -162.87 29.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.03 -16.94 14.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.859 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.21 -41.04 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -44.16 -24.64 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -110.1 -46.66 6.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.417 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.02 -42.56 49.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.43 -19.03 65.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.36 -19.19 50.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.302 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.5 mm -68.92 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.761 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.35 -37.33 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.7 t -55.85 -62.22 1.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.5 mt-30 -133.16 -134.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 33.4 p -41.06 160.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.8 121.88 5.0 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 146.49 32.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.761 HD11 HG12 ' A' ' 75' ' ' VAL . 3.3 mt -83.0 144.36 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.85 45.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.05 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.897 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -32.34 146.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.641 HG22 HE21 ' A' ' 53' ' ' GLN . 31.2 m -141.91 149.94 40.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.975 HG22 ' N ' ' A' ' 1' ' ' THR . 11.8 m -134.55 154.63 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.75 42.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.492 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 54.22 171.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.5 118.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.518 ' O ' ' CD2' ' A' ' 89' ' ' TRP . 49.2 p-90 -43.11 101.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER -133.82 149.96 73.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 96.7 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' HG22 ' A' ' 92' ' ' THR . 1.9 m -130.09 85.12 58.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 94' ' ' ARG . 18.1 Cg_endo -75.06 75.21 3.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 110.986 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.0 OUTLIER 28.26 52.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -145.8 126.35 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 36.7 m -99.93 95.24 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.941 HD11 HG22 ' A' ' 39' ' ' VAL . 5.3 mt -60.3 177.54 0.26 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -97.81 159.46 14.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.1 ttp 60.88 170.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -138.43 167.19 22.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' N ' HD12 ' A' ' 81' ' ' ILE . 4.3 mmm180 43.86 94.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.11 105.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.599 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -84.89 114.82 22.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -157.6 156.14 31.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.697 HD13 ' N ' ' A' ' 13' ' ' GLY . 2.1 tm? 73.51 147.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.697 ' N ' HD13 ' A' ' 12' ' ' LEU . . . -99.09 117.27 5.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -117.35 171.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.445 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -163.41 154.57 16.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.753 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.09 173.32 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.95 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.8 p -169.73 174.83 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -141.05 -162.34 9.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.85 -55.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.745 . . . . 0.0 110.275 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.7 m 44.72 89.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.972 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.08 -58.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.46 164.72 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.6 1.187 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -54.86 129.56 37.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.257 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.69 -153.13 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.3 t70 45.44 90.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -120.43 167.18 13.73 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.14 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.05 97.9 0.17 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.95 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.44 138.59 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.699 ' O ' HG12 ' A' ' 17' ' ' VAL . 26.1 p90 -130.88 142.98 50.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.836 HD13 HD12 ' A' ' 51' ' ' LEU . 6.0 tp -46.53 128.97 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.32 -44.74 97.23 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.528 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.93 161.93 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.831 HD13 HG22 ' A' ' 45' ' ' ILE . 4.7 mp -129.31 135.13 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.499 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.8 mmt -57.44 83.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.783 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -39.28 144.55 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.99 65.99 3.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -148.47 -125.7 1.5 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.626 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . . . -86.34 -74.71 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 109.208 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.941 HG22 HD11 ' A' ' 4' ' ' LEU . 28.9 t -79.9 -22.55 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.783 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -70.14 -46.86 63.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -74.0 -13.33 60.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -61.66 -53.07 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -162.73 47.28 0.33 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' GLY . 1.2 mtp180 35.33 54.55 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 0.772 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.831 HG22 HD13 ' A' ' 33' ' ' ILE . 23.6 mm -43.3 164.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.241 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -134.77 170.44 11.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.704 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.03 -39.55 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.454 1.765 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.876 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -83.87 34.69 2.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -81.57 -28.69 33.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.493 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.8 OUTLIER 80.78 50.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.921 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.2 tm? -94.3 83.55 4.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.46 3.99 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.475 ' HG3' ' C ' ' A' ' 84' ' ' THR . 3.8 pt20 -132.64 149.03 52.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.716 HG22 HD22 ' A' ' 83' ' ' LEU . 25.0 t -133.51 153.37 36.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.0 t-20 38.52 -141.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.48 5.87 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.551 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.92 152.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -147.74 89.78 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.551 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 22.4 m-85 -76.13 52.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.01 -75.48 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -44.52 -28.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -56.69 -82.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 33.64 49.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.962 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -91.56 28.99 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 64' ' ' ASN . 16.2 t0 38.85 30.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' HA ' HD11 ' A' ' 16' ' ' ILE . 36.8 m-20 -166.62 31.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.72 -14.87 23.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.071 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.753 HG23 HG12 ' A' ' 16' ' ' ILE . 2.5 t -58.81 -41.89 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.16 -24.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.14 -46.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -50.78 -40.72 55.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 19.2 ttt85 -66.0 -18.46 65.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -79.95 -19.78 47.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.1 mm -66.71 -92.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.58 -38.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.4 t -51.79 -60.33 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.22 -118.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 77' ' ' GLN . 64.5 p -52.4 -173.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.445 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.47 115.2 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.97 32.19 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.478 1.778 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 75' ' ' VAL . 1.4 mt -73.12 147.68 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.581 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.91 51.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.716 HD22 HG22 ' A' ' 54' ' ' VAL . 6.7 mt -35.37 152.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.475 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 54.4 m -142.5 140.36 31.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.41 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.921 HG12 ' HA ' ' A' ' 51' ' ' LEU . 10.4 m -137.28 153.69 29.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -107.96 38.31 2.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 53.17 173.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.342 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.876 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . 179.9 107.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -59.38 95.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 107.992 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.94 133.92 21.13 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' THR . 18.6 Cg_endo -74.93 56.0 4.08 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.04 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 92' ' ' THR . 10.0 t 32.21 75.48 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 177.63 8.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -74.56 167.27 22.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.591 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 5.1 t . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.7 t -45.68 130.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m -130.21 106.71 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -96.53 171.37 8.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.235 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -64.62 163.0 14.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.58 177.56 7.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.76 -54.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.302 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 62.67 86.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -121.63 -177.86 3.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.534 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -92.37 -63.82 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -44.81 150.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD22 HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -179.09 -74.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.0 63.57 2.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.545 1.153 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.421 HG12 HD22 ' A' ' 12' ' ' LEU . 1.9 pp -119.1 171.6 7.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.45 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -167.5 164.23 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.009 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.763 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.4 pp -121.18 170.74 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 28' ' ' ILE . 11.6 p -165.51 173.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -133.77 -164.55 10.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.27 48.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -68.54 94.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -105.75 -54.97 2.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -100.43 169.61 8.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' GLY . 1.0 OUTLIER -47.16 139.35 6.08 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.15 -153.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 49.98 93.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . -132.45 -52.94 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.528 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 37.2 83.5 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -44.99 136.82 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.778 . . . . 0.0 109.253 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 26' ' ' GLY . 6.8 m-85 -121.87 148.07 45.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.974 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -51.75 126.81 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.25 -49.29 69.11 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.425 1.078 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.889 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.4 p 180.0 166.78 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.889 HD12 ' C ' ' A' ' 32' ' ' SER . 2.7 mp -127.51 128.77 70.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -25.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.737 ' H ' HG22 ' A' ' 33' ' ' ILE . 1.7 tttm 74.95 23.83 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.538 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -174.79 86.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -174.51 -122.57 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.4 -84.83 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG1' HG13 ' A' ' 45' ' ' ILE . 2.3 t -70.84 -24.66 25.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . . . -62.79 -49.69 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HA ' HH21 ' A' ' 44' ' ' ARG . . . -67.58 -15.14 63.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 15.0 t70 -57.28 -52.06 66.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.29 47.88 0.09 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 38.59 63.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.783 . . . . 0.0 110.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG13 ' CG1' ' A' ' 39' ' ' VAL . 13.5 mm -44.44 165.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.6 mt-10 -112.86 166.2 11.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.672 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -37.93 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -87.38 19.73 30.27 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 50' ' ' MET . 21.5 t70 -62.59 -24.86 67.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.456 0.739 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.619 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 78.0 49.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.974 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -91.94 85.94 5.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.836 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.03 4.33 6.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -134.82 153.73 51.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.281 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.691 HG22 HD22 ' A' ' 83' ' ' LEU . 69.2 t -138.54 155.7 28.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 36.0 t30 37.68 -138.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -84.31 9.66 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.485 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 t -89.69 158.98 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.417 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 42.3 m-20 -150.46 88.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 24.6 m-85 -77.21 53.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.56 -55.75 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.18 -14.83 27.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.57 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 2.5 tpp -73.19 -83.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.3 t 34.63 57.63 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -87.7 13.67 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.7 t70 60.22 17.43 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.763 ' HA ' HD11 ' A' ' 16' ' ' ILE . 5.5 p30 -166.24 30.56 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.22 -18.01 9.09 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.718 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -53.24 -40.9 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.76 -24.68 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 110.24 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.47 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -107.81 -48.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.82 -42.47 47.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -63.45 -19.13 64.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.43 -20.92 50.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.6 mm -66.86 -91.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.769 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.26 -37.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.5 t -55.35 -63.8 1.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.5 OUTLIER -131.81 -132.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 40.8 p -41.4 159.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.36 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.33 121.56 4.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.434 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 145.73 31.9 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.517 1.799 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.769 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -80.89 146.53 7.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.15 48.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.057 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.691 HD22 HG22 ' A' ' 54' ' ' VAL . 6.2 mt -35.65 151.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.484 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 31.7 m -140.72 143.49 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.945 HG12 ' HA ' ' A' ' 51' ' ' LEU . 21.9 m -136.11 153.06 31.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.541 1.15 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -91.25 40.63 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.5 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.17 172.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.326 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -179.16 114.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -42.66 105.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.39 118.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 -163.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.534 1.807 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.482 HG21 ' HB2' ' A' ' 95' ' ' SER . 9.0 t -131.86 141.84 43.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.373 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.98 96.88 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.539 1.81 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 93' ' ' PRO . 0.1 OUTLIER 37.0 61.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 92' ' ' THR . 28.1 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.01 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.816 ' HB ' HG23 ' A' ' 84' ' ' THR . 3.7 t . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.8 t -142.71 150.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.1 m -115.1 97.9 6.48 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD11 ' CG2' ' A' ' 39' ' ' VAL . 4.0 mt -57.36 178.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.352 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -44.68 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.18 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 5' ' ' ASN . 3.1 mtp 164.48 -49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 6' ' ' MET . 4.3 tt0 -37.88 151.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.568 ' HG2' HD12 ' A' ' 81' ' ' ILE . 9.6 mtm180 -101.91 78.53 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 36.0 m80 -87.86 172.26 9.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.662 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -111.03 -65.47 1.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.386 1.054 . . . . 0.0 109.576 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 10.8 p90 -45.86 144.12 1.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.204 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.51 -51.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.58 73.84 0.91 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.566 1.166 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.414 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.1 pt -124.54 173.88 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.226 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -164.78 156.01 15.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.796 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -116.2 174.16 3.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.2 p -167.38 172.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.563 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -138.43 -162.09 9.06 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.59 1.181 . . . . 0.0 110.985 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.94 -65.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.2 m 66.75 89.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.025 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -107.66 -56.55 2.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.66 154.27 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 24' ' ' GLY . 63.2 mtt180 -41.51 117.57 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.253 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.63 91.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.481 1.113 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.27 120.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.16 75.34 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 0.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.26 106.09 0.32 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.1 mm -49.32 138.47 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.665 ' O ' HG12 ' A' ' 17' ' ' VAL . 5.8 p90 -132.39 143.59 49.93 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.954 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -47.19 122.36 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.83 -43.93 87.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.535 1.147 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 p -179.97 169.81 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 0.723 . . . . 0.0 110.042 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 35' ' ' LYS . 5.4 mp -124.22 134.26 67.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.092 . . . . 0.0 109.33 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.3 mmm -38.13 -29.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 111.07 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.735 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER 72.04 157.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.391 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 35.81 58.9 0.93 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.734 ' H ' ' HB3' ' A' ' 40' ' ' ALA . . . -140.11 -125.28 2.19 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.03 -80.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.827 ' CG2' HD11 ' A' ' 4' ' ' LEU . 1.7 t -70.35 -22.07 23.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.735 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -65.47 -49.93 67.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.81 -12.79 61.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' HB2' ' HA ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -60.35 -54.2 48.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -168.87 50.48 0.22 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.098 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 43' ' ' GLY . 6.6 ptp85 31.84 59.67 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 0.811 . . . . 0.0 110.304 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG13 ' CG1' ' A' ' 39' ' ' VAL . 37.3 mm -40.55 161.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 2.1 mt-10 -117.96 163.85 22.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.618 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.83 2.32 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.475 1.777 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.94 15.12 33.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -54.39 -31.23 54.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.764 . . . . 0.0 109.374 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.648 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 81.05 46.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.997 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.954 HD12 HD13 ' A' ' 30' ' ' ILE . 1.6 tm? -86.34 81.48 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.911 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.41 1.67 7.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.528 ' HG3' ' C ' ' A' ' 84' ' ' THR . 1.2 pt20 -132.57 153.44 51.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.4 t -139.32 153.94 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 3.5 t-20 38.1 -141.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.292 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.3 p30 -77.83 2.57 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.9 153.81 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -151.72 89.79 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CD1' ' HE2' ' A' ' 62' ' ' MET . 26.7 m-85 -77.39 51.96 0.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.2 mm-40 -65.18 -75.75 0.08 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.71 -29.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.232 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.645 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.05 -83.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 110.961 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 35.43 49.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.934 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.451 ' C ' ' N ' ' A' ' 66' ' ' ASP . 8.5 t30 -91.15 29.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.0 t0 39.77 29.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' N ' ' C ' ' A' ' 64' ' ' ASN . 34.3 m-20 -163.21 28.68 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -15.09 17.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.796 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.01 -41.79 87.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.222 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -25.13 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -108.89 -46.89 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -49.58 -42.53 44.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -62.12 -20.18 63.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER -76.74 -22.81 53.29 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.7 mm -66.71 -89.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.467 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.74 -38.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -53.26 -62.25 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.3 mt-30 -137.9 -129.27 0.13 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 81.7 p -40.27 160.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.29 118.72 4.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -74.99 145.97 32.1 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 8' ' ' ARG . 2.6 mt -79.65 145.82 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 155.2 46.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.412 1.07 . . . . 0.0 110.032 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.865 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.05 145.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.816 HG23 ' HB ' ' A' ' 1' ' ' THR . 53.5 m -136.2 147.69 47.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.811 HG23 ' H ' ' A' ' 87' ' ' LYS . 1.2 m -142.17 155.76 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.6 1.188 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -91.86 34.09 1.01 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.811 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 52.75 173.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 179.91 82.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.42 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 6.1 t90 81.0 84.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TRP . 0.1 OUTLIER -39.64 100.19 0.21 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' TRP . 18.1 Cg_endo -75.03 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.531 1.806 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 t -51.27 145.77 12.98 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.406 1.066 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 178.8 6.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.472 1.775 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.81 172.12 13.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.018 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.666 ' HA ' HG22 ' A' ' 85' ' ' VAL . 1.7 t . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -152.57 138.81 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 5' ' ' ASN . 25.6 m -97.91 96.34 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 110.408 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD11 HG22 ' A' ' 39' ' ' VAL . 3.9 mt -58.71 85.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 3' ' ' THR . 4.0 t-20 53.44 175.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.44 177.93 5.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.05 169.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.418 1.074 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.722 ' CG ' HD12 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -137.93 102.43 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 10' ' ' HIS . 3.7 t-160 175.78 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' HIS . 0.1 OUTLIER 168.65 143.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 109.628 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -87.72 161.57 17.54 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.456 1.098 . . . . 0.0 110.981 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.791 HD11 HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -151.64 126.22 9.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.48 83.32 1.6 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG23 HD12 ' A' ' 12' ' ' LEU . 1.8 pp -119.38 170.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 109.259 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.92 154.45 32.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.922 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.86 172.1 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.934 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -163.32 173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -135.55 -164.97 10.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 172.75 -53.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m 74.72 -64.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.7 t30 40.61 49.91 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.243 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -176.94 167.44 2.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -64.55 90.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.44 91.89 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.6 t0 163.35 123.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.544 0.791 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.39 -163.46 28.87 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -157.46 111.62 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.934 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.0 mm -47.35 140.3 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.739 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 15.4 p90 -132.02 151.3 51.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 33' ' ' ILE . 4.4 tp -52.64 120.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.99 -45.24 72.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.486 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m 179.98 166.81 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 0.723 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.676 HG22 ' H ' ' A' ' 35' ' ' LYS . 2.7 mp -113.71 123.99 69.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.93 -28.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.676 ' H ' HG22 ' A' ' 33' ' ' ILE . 7.1 tttt 65.44 22.56 11.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -66.6 -114.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.7 -3.52 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.717 ' HB1' HD21 ' A' ' 12' ' ' LEU . . . -85.39 -86.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.791 HG23 HD11 ' A' ' 12' ' ' LEU . 84.1 t -70.46 -16.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.632 1.207 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.621 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -72.56 -47.57 47.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.36 -25.47 64.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -48.15 82.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.52 -129.12 1.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.096 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' ILE . 4.9 mtt85 -122.47 56.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.748 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.567 HG22 HD13 ' A' ' 33' ' ' ILE . 19.4 mm -42.76 164.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.9 mt-10 -129.76 161.39 59.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HA ' ' CG2' ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.96 -34.68 3.68 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.51 18.43 14.8 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.8 OUTLIER -57.5 -30.96 65.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.588 0.816 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.56 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 3.0 tpp 85.62 52.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.928 HD21 ' HB3' ' A' ' 83' ' ' LEU . 2.4 tm? -88.57 83.55 6.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.947 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.25 1.49 5.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.665 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.6 pt20 -137.49 153.64 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.276 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.895 HG22 ' HA ' ' A' ' 83' ' ' LEU . 13.8 t -139.75 153.01 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.3 t-20 37.86 -140.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.73 0.9 18.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.73 150.09 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -150.09 88.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.658 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 24.0 m-85 -80.19 50.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.3 mt-10 -62.08 -74.55 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.33 -28.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.658 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -59.13 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.0 t 31.0 52.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.023 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.435 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.6 t-20 -90.95 27.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t0 41.0 29.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 64' ' ' ASN . 7.6 p30 -166.79 30.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.568 1.168 . . . . 0.0 109.212 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.68 -14.65 22.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.922 HG23 HG12 ' A' ' 16' ' ' ILE . 2.2 t -56.14 -42.02 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -42.91 -25.84 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.307 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -106.46 -47.57 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.246 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.45 -43.41 44.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.4 OUTLIER -62.5 -18.93 62.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.1 pt-20 -78.81 -21.82 47.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.128 . . . . 0.0 110.233 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.0 mm -66.41 -91.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.765 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -38.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.4 t -51.74 -61.64 2.13 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -133.11 -121.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' GLN . 23.5 p -49.87 -178.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.13 117.77 0.33 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.562 1.164 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -74.97 148.26 35.17 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.453 1.765 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.765 HD11 HG12 ' A' ' 75' ' ' VAL . 2.8 mt -78.66 144.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER 155.6 45.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.983 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.928 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -30.42 143.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 1' ' ' THR . 85.3 m -133.64 143.25 48.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.073 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.843 HG12 ' HA ' ' A' ' 51' ' ' LEU . 16.8 m -138.34 155.7 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -93.4 37.69 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 53.82 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.568 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . 172.07 83.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 75.65 63.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 107.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.81 104.68 0.35 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -163.37 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 1.1 m -39.47 139.73 0.84 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.99 56.1 4.14 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 93' ' ' PRO . 12.4 ptt180 36.41 51.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.0 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.995 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.475 ' OG1' HG23 ' A' ' 84' ' ' THR . 13.8 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.9 t -144.0 150.89 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.3 m -114.3 96.87 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.075 . . . . 0.0 110.45 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 4' ' ' LEU . 5.3 mt -63.96 179.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -135.95 102.65 5.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.0 mtm -179.59 160.02 0.92 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.12 177.84 5.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -42.91 -60.62 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m80 54.94 176.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.569 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -133.92 -62.92 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.444 1.09 . . . . 0.0 109.701 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -37.86 131.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.39 113.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.54 80.61 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.8 pp -118.67 169.29 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.49 0.759 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -155.39 165.59 36.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.157 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.3 pp -129.22 176.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.785 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.2 p -167.84 168.75 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.565 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -135.46 -163.42 10.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -156.7 -57.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.261 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 m 45.18 70.83 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.954 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -99.65 -51.48 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.35 169.45 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -39.79 106.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.221 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.18 -143.66 0.12 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 52.77 92.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.36 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.28 127.38 5.86 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -110.35 85.29 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 17' ' ' VAL . 36.4 mm -46.07 137.86 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.553 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 21.1 p90 -132.31 142.99 49.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.862 HD13 HD12 ' A' ' 51' ' ' LEU . 4.9 tp -43.56 123.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -57.62 -46.31 92.26 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.513 1.133 . . . . 0.0 110.939 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.413 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -179.92 169.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 110.015 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 35' ' ' LYS . 4.4 mp -126.42 129.07 71.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -84.92 31.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.794 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 36.12 44.34 0.26 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.78 -128.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.477 1.11 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.47 -13.17 4.37 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.95 -77.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.254 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG11 HG12 ' A' ' 33' ' ' ILE . 5.0 t -66.47 -22.81 30.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.794 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -71.96 -46.13 58.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.82 -23.69 19.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.17 -54.14 29.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.67 -123.72 1.23 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -113.55 54.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.39 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.657 HG22 HD13 ' A' ' 33' ' ' ILE . 18.4 mm -41.35 163.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.3 mt-10 -127.44 162.48 48.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.652 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -40.04 1.02 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.536 1.808 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.731 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -84.74 36.75 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 50' ' ' MET . 2.6 t0 -81.95 -24.09 35.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.258 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.953 ' SD ' ' HB3' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 77.24 50.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 111.033 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.93 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.0 tm? -92.31 84.97 5.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.957 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.56 5.43 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.52 HE21 HG22 ' A' ' 84' ' ' THR . 5.5 pt20 -134.28 153.1 52.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.824 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.3 t -139.45 154.82 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.43 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 14.9 t30 38.29 -142.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -77.23 2.19 16.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.18 154.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -154.57 90.01 1.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CG ' ' HE2' ' A' ' 62' ' ' MET . 22.5 m-85 -78.69 52.24 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 62' ' ' MET . 2.4 mm-40 -64.93 -74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.336 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -43.7 -27.65 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.554 ' HE2' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -60.85 -84.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 34.98 57.29 0.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -86.99 9.93 18.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.9 t0 64.32 19.6 11.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.817 ' HA ' HD11 ' A' ' 16' ' ' ILE . 16.8 p30 -162.33 29.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.82 -18.25 4.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.596 1.185 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.776 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -55.05 -39.68 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -44.86 -24.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.696 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.7 OUTLIER -107.65 -47.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -48.68 -43.77 37.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 76' ' ' SER . 1.8 ttp180 -61.38 -20.83 63.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.382 1.051 . . . . 0.0 110.333 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.696 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -76.74 -20.57 56.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.591 1.182 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -66.58 -92.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.864 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.85 -38.16 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.9 t -53.54 -60.94 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.0 mt-30 -130.42 -121.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' GLN . 31.9 p -51.43 -174.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.348 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.423 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.12 116.84 0.13 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.553 1.158 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.06 150.24 37.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.864 HD11 HG12 ' A' ' 75' ' ' VAL . 1.6 mt -77.77 144.14 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 158.54 49.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.824 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.34 145.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.52 HG22 HE21 ' A' ' 53' ' ' GLN . 56.1 m -138.36 142.92 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.93 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -136.54 153.5 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.953 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . -101.66 41.06 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 53.22 172.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . -179.61 57.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -177.16 -175.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 107.947 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -121.0 95.04 49.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -165.32 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.523 1.802 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 15.1 t -153.53 144.87 16.4 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.428 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -75.03 118.36 5.23 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.528 1.804 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 144.64 27.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.948 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.431 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 11.1 t . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.533 0.206 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' H ' ' H2 ' ' A' ' 1' ' ' THR . 38.6 t -54.24 119.93 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -130.13 107.25 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.43 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 HD11 HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -93.26 84.98 4.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -58.22 179.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 73.48 118.35 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 111.043 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 71.35 109.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.531 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 2.4 ptt85 -122.54 62.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 1.9 m170 175.03 103.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.667 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.3 168.6 2.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.539 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -55.6 179.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -158.45 -64.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.36 61.2 6.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.694 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.8 pp -121.21 174.14 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' GLY . 59.5 p -150.89 152.97 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.929 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -113.83 171.71 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.2 p -163.29 170.21 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -136.53 -153.96 6.65 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.04 -61.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 4.6 m 60.17 167.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 20' ' ' SER . 10.2 t-20 79.54 -56.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -40.92 107.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.2 mtm180 -47.52 137.21 9.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.83 70.5 0.23 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 171.29 92.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 0.745 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.64 -140.87 4.05 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.37 111.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 34.3 mm -44.21 138.54 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.644 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.8 p90 -129.98 142.94 50.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.917 HD13 HD12 ' A' ' 51' ' ' LEU . 5.6 tp -46.76 126.82 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -64.05 -40.63 98.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.716 ' C ' HD12 ' A' ' 33' ' ' ILE . 84.1 p -179.69 163.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.53 120.91 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.414 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -62.17 85.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' MET . 4.6 tttm -38.94 107.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.485 ' H ' ' HB1' ' A' ' 40' ' ' ALA . . . 112.63 81.88 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.43 -128.47 1.15 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.37 -86.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.764 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG23 HD11 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -76.16 -21.77 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.485 ' HB1' ' H ' ' A' ' 36' ' ' GLY . . . -63.08 -44.95 94.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.09 -23.79 63.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -51.84 -42.54 62.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.3 -136.84 2.38 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -117.24 55.51 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 110.239 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.711 HG22 HD13 ' A' ' 33' ' ' ILE . 9.8 mm -42.13 164.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.3 mt-10 -131.15 163.7 47.43 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.736 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.01 -37.31 2.07 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.29 30.24 5.29 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.5 OUTLIER -76.74 -26.05 54.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.28 48.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.975 ' HA ' HG12 ' A' ' 85' ' ' VAL . 2.1 tm? -92.54 84.78 5.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.978 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -126.76 4.21 6.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.585 ' N ' HD13 ' A' ' 52' ' ' LEU . 5.0 pt20 -133.41 155.79 48.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 110.35 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.1 t -139.96 150.74 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 28.5 t30 39.23 -139.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.1 3.17 18.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.501 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -85.8 147.78 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -147.29 88.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.662 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 24.1 m-85 -79.6 49.85 1.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.087 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -65.14 -68.37 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -46.62 -25.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.662 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -58.59 -76.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 111.08 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 1.4 t 30.63 51.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 66' ' ' ASP . 1.7 t-20 -91.05 23.18 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.579 1.175 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 42.9 27.59 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' N ' ' C ' ' A' ' 64' ' ' ASN . 21.6 m-20 -164.92 29.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.43 -16.5 15.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.929 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -56.22 -43.46 76.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -42.37 -25.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -108.96 -43.72 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.437 1.086 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -39.11 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.64 -16.32 63.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.5 OUTLIER -82.82 -19.99 36.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.8 mm -64.78 -89.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.177 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.657 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.9 -37.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.368 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.6 t -54.89 -64.0 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' ILE . 0.7 OUTLIER -135.06 -131.3 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 53.7 p -40.04 160.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.418 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.29 116.7 4.17 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.03 145.51 31.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 HG12 ' A' ' 75' ' ' VAL . 2.5 mt -82.53 145.19 8.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 83' ' ' LEU . 3.8 t 156.79 47.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 109.979 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.845 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -28.43 139.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.453 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 57.6 m -134.38 141.39 46.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.975 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.8 m -134.12 154.38 37.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' SD ' ' A' ' 50' ' ' MET . . . -93.93 39.81 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.528 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 55.03 171.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 178.43 62.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 2.5 t90 86.93 71.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -81.14 116.47 62.83 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 106.84 2.35 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.471 1.774 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 92' ' ' THR . 10.1 t -40.84 110.7 0.73 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -176.21 2.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 170.95 8.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.75 ' HB ' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CD1' ' A' ' 83' ' ' LEU . 47.8 t -154.04 121.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.9 m -97.02 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.66 HD11 HG22 ' A' ' 39' ' ' VAL . 4.6 mt -64.74 177.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -51.43 176.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.07 100.2 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -179.94 131.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.623 1.202 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.73 ' HA ' HD12 ' A' ' 81' ' ' ILE . 14.9 ptt-85 -127.79 64.37 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -163.44 76.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.577 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.99 166.83 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.601 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 72.0 t80 -88.86 173.05 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -176.63 102.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.86 97.57 0.31 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -128.25 173.18 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -167.15 155.61 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.009 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.887 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -109.13 172.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.987 ' O ' HG23 ' A' ' 28' ' ' ILE . 4.4 p -163.31 179.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.703 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -141.5 -161.9 8.92 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.9 tt0 175.8 58.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 0.722 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' GLN . 28.3 p -39.37 124.92 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -166.38 132.23 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 t70 63.35 167.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 21.5 mtp180 -77.96 148.69 34.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' ASP . . . 36.81 90.8 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 161.19 125.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.786 . . . . 0.0 109.259 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . -161.58 -55.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 29' ' ' TYR . . . 41.28 85.04 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.987 HG23 ' O ' ' A' ' 17' ' ' VAL . 40.1 mm -49.24 135.88 6.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 27' ' ' GLY . 2.9 m-85 -119.1 163.87 16.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 33' ' ' ILE . 5.3 tp -64.55 122.29 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -53.69 -49.76 56.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.92 164.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.998 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.875 HD13 HG22 ' A' ' 45' ' ' ILE . 4.5 mp -128.25 120.67 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 5.3 mmm -45.81 92.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.615 ' NZ ' HH21 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -41.14 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.504 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . 36.04 91.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.468 1.105 . . . . 0.0 111.037 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 41' ' ' ALA . . . -170.08 -116.0 0.36 Allowed Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -91.54 -75.3 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 0.82 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG22 HD11 ' A' ' 4' ' ' LEU . 10.7 t -73.94 -21.38 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' ' N ' ' A' ' 36' ' ' GLY . . . -75.92 -44.36 40.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.394 1.059 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 37' ' ' GLY . . . -63.13 -18.96 64.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -45.3 64.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 40' ' ' ALA . . . -162.41 -128.84 0.98 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.575 1.172 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.615 HH21 ' NZ ' ' A' ' 35' ' ' LYS . 11.8 ttm180 -137.83 64.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 110.298 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.875 HG22 HD13 ' A' ' 33' ' ' ILE . 15.3 mm -47.82 165.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.367 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 6.4 mt-10 -134.88 161.15 65.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.594 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -34.08 4.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.462 1.769 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.05 17.06 53.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.753 ' OD1' HG11 ' A' ' 85' ' ' VAL . 0.7 OUTLIER -57.37 -25.34 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.2 ttt 81.59 54.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.964 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -92.82 85.19 5.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.923 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.46 5.77 5.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' THR . 4.4 pt20 -138.07 148.37 44.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 83' ' ' LEU . 19.1 t -137.81 152.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' ND2' ' HG2' ' A' ' 80' ' ' PRO . 23.0 t30 38.68 -138.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.456 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 4.7 p-10 -83.25 7.63 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.36 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.574 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -85.83 160.22 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 3.0 p30 -152.4 90.26 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.574 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 21.8 m-85 -80.3 52.71 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.8 mt-10 -75.56 -51.14 13.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -10.17 41.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.4 ttp -77.34 -84.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.496 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.1 t 31.47 40.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 22.1 t30 -58.64 -66.36 0.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 170.45 -32.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.887 ' HA ' HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -139.46 47.09 1.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.41 -24.41 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.755 HG23 HG12 ' A' ' 16' ' ' ILE . 1.5 t -42.8 -43.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -41.53 -26.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -106.2 -48.95 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -49.7 -43.47 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 4.9 ttt85 -62.45 -19.32 63.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.4 pt-20 -78.48 -20.64 50.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.3 mm -63.8 -92.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.962 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.98 -38.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.7 t -53.84 -62.45 1.64 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.431 1.082 . . . . 0.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.5 mt-30 -127.78 -118.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.6 p -52.19 -173.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.42 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.0 115.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.04 149.89 37.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.551 1.816 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.962 HD11 HG12 ' A' ' 75' ' ' VAL . 2.3 mt -76.68 144.47 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER 157.98 47.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.397 1.06 . . . . 0.0 110.036 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -33.94 141.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.355 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.75 HG23 ' HB ' ' A' ' 1' ' ' THR . 99.5 m -135.07 139.05 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.399 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.964 HG12 ' HA ' ' A' ' 51' ' ' LEU . 23.6 m -137.03 155.54 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.33 38.34 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.524 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.11 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.14 100.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.546 ' CH2' ' HG3' ' A' ' 91' ' ' PRO . 24.9 t90 -42.77 -72.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.076 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.05 87.75 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.361 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 18.3 Cg_endo -74.96 105.98 2.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.577 1.83 . . . . 0.0 111.057 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 8.9 t -111.36 144.82 31.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.5 Cg_endo -74.94 174.57 12.53 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.538 1.809 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 3.9 ptp180 -97.13 148.84 22.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 85' ' ' VAL . 5.9 t . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.579 0.228 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 44.0 t -55.08 143.11 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m -115.21 98.95 7.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.369 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.007 HD11 HG23 ' A' ' 39' ' ' VAL . 3.9 mt -56.51 179.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -93.82 108.77 20.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -36.16 120.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 176.41 76.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 8' ' ' ARG . 28.6 mtm105 -63.66 99.27 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 5.2 m-70 -116.89 -81.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.573 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 9' ' ' HIS . 1.6 m80 171.88 -62.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.606 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -37.05 135.26 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.622 HD12 HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -165.45 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.73 60.1 6.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.622 HG12 HD12 ' A' ' 12' ' ' LEU . 1.1 pt -126.64 174.27 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.76 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' GLY . 54.0 p -163.76 155.85 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.982 HG12 HG23 ' A' ' 68' ' ' VAL . 1.3 pp -114.21 171.75 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.961 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.5 p -158.91 169.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -134.33 -147.41 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 68.27 105.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.38 -177.63 3.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -108.32 -43.13 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.96 177.46 7.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -58.28 121.4 10.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.85 -152.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 43.43 91.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.35 66.89 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . -43.32 108.53 0.17 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.2 mm -49.04 140.86 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' O ' HG12 ' A' ' 17' ' ' VAL . 10.2 p90 -136.6 154.02 50.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.5 tp -52.45 119.83 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.35 -46.04 81.29 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.4 p 179.97 169.11 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.641 HG22 ' H ' ' A' ' 35' ' ' LYS . 5.2 mp -122.31 138.32 52.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.517 ' O ' ' CB ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -46.11 -24.97 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 111.043 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 1.011 ' C ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER 88.82 -36.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.561 ' N ' ' HB1' ' A' ' 40' ' ' ALA . . . -132.43 104.02 0.54 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.698 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -178.03 -119.89 0.62 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.04 -82.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.007 HG23 HD11 ' A' ' 4' ' ' LEU . 2.6 t -73.44 -14.24 16.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.011 ' HB1' ' C ' ' A' ' 35' ' ' LYS . . . -70.94 -49.76 42.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.8 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -62.09 -46.88 87.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -170.59 -138.91 2.61 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.464 1.103 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 45' ' ' ILE . 3.8 mmm-85 -124.19 57.46 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 HG13 ' CG1' ' A' ' 39' ' ' VAL . 29.9 mm -43.06 164.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -120.96 162.03 37.25 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.619 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.1 Cg_endo -74.98 -35.21 3.29 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.427 1.751 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -82.67 14.38 36.66 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -53.81 -30.95 47.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.604 0.826 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.524 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER 82.89 49.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.787 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.3 tm? -86.05 83.33 7.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.28 4.64 5.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.502 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.3 pt20 -135.68 142.56 45.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.821 HG12 HD22 ' A' ' 55' ' ' ASN . 75.7 t -138.18 148.82 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.821 HD22 HG12 ' A' ' 54' ' ' VAL . 8.7 p30 42.64 -139.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.2 OUTLIER -82.35 6.79 15.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -86.81 150.33 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -146.83 90.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.426 1.078 . . . . 0.0 109.339 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.598 ' CD1' ' SD ' ' A' ' 62' ' ' MET . 24.0 m-85 -79.09 50.97 1.1 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.18 -45.02 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -0.95 28.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.598 ' SD ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -86.11 -73.78 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.944 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.543 ' O ' ' OG ' ' A' ' 63' ' ' SER . 1.4 t 28.33 46.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.4 t30 -91.59 26.78 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.5 t0 39.88 30.48 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 64' ' ' ASN . 25.0 m-20 -163.92 30.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.24 -15.04 21.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.982 HG23 HG12 ' A' ' 16' ' ' ILE . 3.0 t -59.71 -42.84 89.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.15 -26.48 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.564 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -107.52 -44.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD21 ' CG2' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -50.38 -41.57 52.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.2 ttt180 -64.14 -17.62 63.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -80.33 -20.09 45.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.127 . . . . 0.0 110.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.456 HD13 ' HA3' ' A' ' 79' ' ' GLY . 1.8 mm -66.92 -92.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.74 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.88 -38.75 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 4.1 t -51.24 -59.37 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -135.73 -118.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.412 ' H ' HG23 ' A' ' 78' ' ' THR . 65.2 p -51.6 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.455 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.456 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 77.03 115.09 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.76 31.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.74 HD11 HG12 ' A' ' 75' ' ' VAL . 1.5 mt -75.64 145.6 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 157.05 52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.802 ' N ' HD12 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -35.71 145.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.487 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 76.0 m -141.26 139.94 33.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.419 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 51' ' ' LEU . 2.3 m -138.21 156.75 30.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.218 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.17 37.41 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.703 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 50.28 176.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . 178.96 73.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 1.2 t-105 85.28 66.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 102.29 0.27 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 93' ' ' PRO . 18.3 Cg_endo -75.0 106.07 2.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' PRO . 0.8 OUTLIER -36.82 97.7 0.14 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 110.401 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 91' ' ' PRO . 18.0 Cg_endo -74.95 -174.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.74 137.37 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.341 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.036 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.589 ' HA ' HG22 ' A' ' 85' ' ' VAL . 4.2 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.439 HG12 HD23 ' A' ' 4' ' ' LEU . 75.1 t -144.72 133.87 18.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.2 m -110.67 97.94 7.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.334 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -95.68 77.62 3.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER 53.88 171.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.39 85.51 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -148.37 133.97 18.77 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.53 ' CZ ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -58.7 124.91 21.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -121.29 175.15 6.28 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 1.106 . . . . 0.0 109.605 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -119.12 -63.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 109.619 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.67 146.81 54.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.07 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.84 76.16 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -123.55 170.91 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.565 0.803 . . . . 0.0 109.367 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 p -160.19 154.92 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.921 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -114.66 172.82 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 p -163.79 172.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.585 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -134.76 -163.7 10.26 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.56 -63.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 0.789 . . . . 0.0 110.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.7 m 59.86 172.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.939 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -122.82 -54.34 1.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -142.14 -52.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.227 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -129.41 114.58 16.35 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.28 -151.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.25 105.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.2 84.94 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -43.34 104.44 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.955 HG23 ' O ' ' A' ' 17' ' ' VAL . 50.5 mm -53.04 139.01 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.679 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 24.7 p90 -131.11 150.45 52.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.906 HD13 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -50.09 127.27 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.39 -46.19 94.78 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.556 ' C ' HD12 ' A' ' 33' ' ' ILE . 2.8 m -178.88 157.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 30' ' ' ILE . 2.3 mp -109.86 121.67 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.4 mmt -41.72 -34.3 0.6 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.146 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.756 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 2.0 mtmt 73.59 41.08 0.46 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.529 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -77.69 -111.6 0.17 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.69 -11.03 3.05 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.87 -80.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 0.783 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.61 HG12 ' CG1' ' A' ' 45' ' ' ILE . 2.5 t -73.5 -21.07 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.181 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.756 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -67.48 -44.64 78.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -17.8 63.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.313 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -50.88 72.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 152.67 56.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER 38.84 60.98 1.31 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 0.783 . . . . 0.0 110.329 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.61 ' CG1' HG12 ' A' ' 39' ' ' VAL . 16.4 mm -43.53 164.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.8 mt-10 -121.65 163.22 32.23 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.2 Cg_endo -75.08 -37.34 2.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.98 21.59 11.3 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.608 ' OD1' HG11 ' A' ' 85' ' ' VAL . 9.0 t70 -63.31 -27.89 69.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER 81.59 52.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.906 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -91.6 86.82 6.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.676 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.97 4.19 5.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.38 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 0.4 OUTLIER -135.41 154.08 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.18 . . . . 0.0 110.266 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 12.8 t -140.12 150.97 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' ND2' ' H ' ' A' ' 56' ' ' ASP . 16.6 t30 42.08 -140.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.445 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -81.04 6.57 13.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.94 155.15 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.228 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -147.92 89.38 1.74 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.623 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 15.6 m-85 -79.5 51.86 1.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.82 -55.08 14.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -61.19 -14.85 28.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 1.2 tpp -67.07 -73.12 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.576 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.4 t 24.55 51.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.454 ' C ' ' N ' ' A' ' 66' ' ' ASP . 7.6 t30 -92.03 25.88 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.53 29.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 64' ' ' ASN . 5.7 p30 -170.57 32.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.22 -15.71 26.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.921 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -57.46 -42.21 80.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -43.42 -25.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.734 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.47 -44.81 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.509 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -50.97 -41.57 59.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.62 1.2 . . . . 0.0 109.281 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.8 OUTLIER -65.59 -17.92 64.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.734 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -80.89 -20.05 43.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' VAL . 2.5 mm -65.03 -93.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.905 HG12 HD11 ' A' ' 81' ' ' ILE . 3.3 m -38.22 -43.05 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -47.3 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.9 mt-30 -132.29 -118.32 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 77' ' ' GLN . 63.5 p -52.12 -173.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.346 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.37 117.88 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -74.99 147.35 33.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.905 HD11 HG12 ' A' ' 75' ' ' VAL . 2.4 mt -78.1 145.49 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 153.82 45.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.932 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.36 144.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 1' ' ' THR . 51.5 m -136.53 144.77 44.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.901 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.6 m -136.77 153.89 30.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.09 41.68 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 51.09 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.07 119.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -42.41 116.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 108.038 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.9 153.79 11.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 106.21 2.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.491 1.785 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 92' ' ' THR . 7.4 t -115.77 115.08 41.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 1.17 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -58.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.92 165.61 29.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.419 1.075 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 83' ' ' LEU . 95.3 t -146.13 142.93 21.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.0 m -112.13 97.25 6.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.445 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.753 ' HB2' HD11 ' A' ' 83' ' ' LEU . 5.1 mt -62.84 117.04 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.18 102.12 9.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.26 149.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.57 166.2 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.649 ' HA ' HD12 ' A' ' 81' ' ' ILE . 46.8 mtm180 -71.92 88.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -145.45 174.0 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.614 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -117.58 101.18 8.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.428 ' HB3' HD13 ' A' ' 12' ' ' LEU . 8.1 t80 -123.21 -37.63 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.651 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -107.82 142.58 37.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.07 120.21 6.8 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.126 . . . . 0.0 111.051 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.471 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt -123.66 174.03 8.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.502 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.6 OUTLIER -163.06 165.41 24.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.069 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.894 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -115.68 169.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.988 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.8 p -157.23 171.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -140.92 -162.52 9.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 178.99 -47.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.74 114.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -139.4 115.21 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -64.01 89.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 179.4 66.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.17 76.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 164.23 124.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.09 90.75 0.09 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.536 1.148 . . . . 0.0 111.071 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.44 0.81 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.988 HG23 ' O ' ' A' ' 17' ' ' VAL . 21.2 mm -50.96 137.59 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.616 ' CE2' HG13 ' A' ' 17' ' ' VAL . 1.3 p90 -126.49 163.41 23.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.646 HG23 ' HA ' ' A' ' 47' ' ' PRO . 5.5 tp -55.45 124.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.495 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.75 -48.56 76.88 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.578 1.174 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.76 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 179.96 158.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.96 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.76 HD12 ' C ' ' A' ' 32' ' ' SER . 1.4 mp -107.84 119.47 57.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.7 mtp -67.67 -5.49 16.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' ILE . 1.4 mtmt 68.08 -106.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.58 -43.6 3.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.55 -9.89 2.91 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.21 -75.09 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 0.811 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG22 HD11 ' A' ' 4' ' ' LEU . 50.1 t -76.49 -21.38 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 35' ' ' LYS . . . -65.36 -44.67 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.371 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.44 -22.71 63.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -54.31 -45.89 72.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 151.23 56.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.494 1.121 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 38.07 59.47 1.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 0.783 . . . . 0.0 110.199 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 13.5 mm -43.61 165.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.5 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.4 mt-10 -126.39 162.36 46.92 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -36.82 2.38 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.467 1.772 . . . . 0.0 111.037 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.21 11.11 38.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -48.7 -33.5 10.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.593 ' SD ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER 84.57 48.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.967 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.2 tm? -81.54 88.65 6.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.966 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.7 5.88 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.577 HE22 ' HB2' ' A' ' 86' ' ' ALA . 3.9 pt20 -137.77 144.56 41.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 83' ' ' LEU . 73.4 t -142.02 151.28 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.754 HD21 HG23 ' A' ' 57' ' ' VAL . 15.9 p-10 33.92 -140.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.95 8.97 7.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.754 HG23 HD21 ' A' ' 55' ' ' ASN . 2.4 t -87.4 155.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -145.2 88.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.247 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.485 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 18.1 m-85 -80.0 54.51 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.55 -69.35 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -24.92 1.7 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.485 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 3.1 tpp -64.04 -85.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.449 ' O ' ' OG ' ' A' ' 63' ' ' SER . 3.5 t 35.83 49.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -97.73 155.54 16.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 2.4 t0 -75.63 54.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 2.7 p30 156.21 43.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.55 -10.56 59.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.894 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -58.35 -39.27 73.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -44.5 -23.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.694 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.5 OUTLIER -103.68 -49.79 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD21 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -49.09 -43.55 41.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.75 -20.26 63.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.694 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -76.22 -21.53 56.31 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -66.46 -92.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 1.106 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.64 -37.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.245 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 11.4 t -55.59 -66.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 74' ' ' ILE . 1.2 mt-30 -131.04 -131.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 41.4 p -41.7 158.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.586 1.179 . . . . 0.0 110.436 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.71 117.04 3.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.43 ' HD2' ' ND2' ' A' ' 55' ' ' ASN . 18.1 Cg_endo -75.07 149.94 37.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 1.106 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -81.97 145.57 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.4 50.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.965 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -37.13 145.8 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 53' ' ' GLN . 88.1 m -146.1 143.26 29.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.413 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.967 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.0 m -130.8 155.46 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' HB2' HE22 ' A' ' 53' ' ' GLN . . . -90.31 40.8 1.02 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 52.85 173.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . 175.98 64.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.458 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 85.39 -67.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -46.31 124.69 7.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.426 ' O ' ' NZ ' ' A' ' 87' ' ' LYS . 18.4 Cg_endo -75.0 -164.18 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.45 1.763 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 93' ' ' PRO . 5.1 m -124.61 139.9 34.21 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.385 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.99 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.406 1.74 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 ptt-85 -167.56 168.86 12.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 109.992 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.783 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 9.6 t . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.527 0.203 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' LEU . 22.0 t -44.94 133.87 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.3 m -108.82 98.85 8.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.796 HD11 HG23 ' A' ' 39' ' ' VAL . 3.5 mt -52.26 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -130.42 171.34 13.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.357 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.74 176.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -101.74 -179.12 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 0.0 110.234 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -82.96 120.12 25.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -179.61 53.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -177.87 167.36 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.3 m-85 -84.04 179.56 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.728 HD12 HG12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -153.48 120.81 5.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.21 68.43 0.44 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.728 HG12 HD12 ' A' ' 12' ' ' LEU . 1.1 pt -124.62 175.43 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -157.5 156.55 32.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 1.175 . . . . 0.0 109.951 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.688 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.4 173.48 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.966 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.0 p -161.36 175.57 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.654 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -138.38 -162.99 9.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -160.52 -52.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 0.741 . . . . 0.0 110.264 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m 66.78 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' GLN . 13.5 t30 72.19 169.55 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.4 -54.92 18.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -136.66 156.45 48.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.63 -147.97 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 49.8 90.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.375 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -144.54 -147.33 4.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.58 88.65 0.56 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 17' ' ' VAL . 43.8 mm -44.92 139.1 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 109.31 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.747 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.8 p90 -135.16 152.05 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.685 HG23 ' HA ' ' A' ' 47' ' ' PRO . 4.7 tp -49.85 124.89 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.34 -46.13 93.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.435 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.5 m -177.08 164.87 2.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.786 ' N ' HD12 ' A' ' 33' ' ' ILE . 2.1 mp -118.48 120.77 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 22.2 mmt -43.26 -26.57 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' N ' ' HB1' ' A' ' 40' ' ' ALA . 1.2 ttmt 76.43 0.9 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -148.18 75.9 0.26 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.479 ' N ' ' HB3' ' A' ' 40' ' ' ALA . . . -161.53 -128.25 0.94 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.03 -81.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.796 HG23 HD11 ' A' ' 4' ' ' LEU . 1.4 t -76.9 -14.49 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB1' ' N ' ' A' ' 35' ' ' LYS . . . -69.92 -48.29 59.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.3 -16.65 59.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.03 -43.85 91.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -165.03 -138.99 2.53 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.441 1.088 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -124.89 55.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.494 HG13 ' CG1' ' A' ' 39' ' ' VAL . 43.4 mm -47.26 163.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 45' ' ' ILE . 1.7 mt-10 -120.28 163.85 26.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.0 -37.77 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.559 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.38 33.14 3.47 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.9 OUTLIER -75.77 -29.05 58.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 0.79 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.596 ' SD ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 83.37 45.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.859 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.4 tm? -86.45 87.48 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.357 1.036 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.805 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -135.39 9.03 3.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.613 HE22 ' HB2' ' A' ' 86' ' ' ALA . 4.3 pt20 -137.19 152.0 49.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 83' ' ' LEU . 25.5 t -141.07 155.05 21.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 39.84 -142.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.19 7.09 10.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -88.1 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.71 90.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.602 ' CD1' ' CE ' ' A' ' 62' ' ' MET . 24.9 m-85 -75.93 51.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.66 -61.29 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -58.92 -18.01 29.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.602 ' CE ' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.46 -74.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.531 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 27.79 53.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.414 ' C ' ' N ' ' A' ' 66' ' ' ASP . 6.5 t-20 -91.6 26.01 2.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 65.5 t0 42.44 28.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' ILE . 45.4 m-20 -167.44 31.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.76 -14.77 23.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.688 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.23 -22.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -109.46 -45.72 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -50.59 -41.71 54.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.9 OUTLIER -65.39 -19.16 65.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -79.26 -18.68 52.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.13 -93.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.25 -38.36 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.8 t -52.26 -58.51 6.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.6 mt-30 -134.43 -119.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.073 . . . . 0.0 110.316 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 77' ' ' GLN . 15.1 p -51.37 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.19 119.37 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 147.35 33.88 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.42 1.747 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -75.71 143.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER 156.45 46.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.857 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -32.79 147.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 53.7 m -139.77 144.96 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.859 HG12 ' HA ' ' A' ' 51' ' ' LEU . 13.6 m -135.8 152.45 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.613 ' HB2' HE22 ' A' ' 53' ' ' GLN . . . -115.4 23.98 11.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' C ' ' HB2' ' A' ' 50' ' ' MET . 0.0 OUTLIER 59.49 170.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' HB2' ' SD ' ' A' ' 50' ' ' MET . . . -160.77 77.52 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ASP . 3.0 t90 71.23 -64.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 107.965 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' TRP . 34.3 t70 40.48 89.12 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.88 4.41 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.529 1.805 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.5 t -168.09 137.32 2.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_endo -75.04 161.79 38.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.33 176.12 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.6 1.187 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.488 ' C ' HG23 ' A' ' 2' ' ' VAL . 15.0 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.488 HG23 ' C ' ' A' ' 1' ' ' THR . 95.3 t -156.26 135.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.1 m -100.45 95.59 6.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 4' ' ' LEU . 3.6 mt -59.21 149.34 28.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -106.28 102.05 11.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.2 170.29 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.55 142.46 32.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HB2' HD12 ' A' ' 81' ' ' ILE . 51.7 ttp180 -70.4 97.0 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -123.6 -78.71 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -177.63 -172.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.586 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 t80 58.47 153.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.22 -73.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 91.24 50.94 2.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 pp -120.52 167.33 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.562 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -157.81 162.83 38.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.965 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.947 HG12 HG23 ' A' ' 68' ' ' VAL . 1.5 pp -124.7 171.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.884 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.1 p -161.36 169.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.55 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -131.82 -164.74 11.17 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.0 72.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.766 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.3 p -117.0 111.67 19.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 0.0 109.972 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -176.39 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -54.1 -54.39 40.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 175.19 100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.39 -150.85 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.567 1.167 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.39 89.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.75 -61.44 0.46 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.44 93.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.9 mm -52.12 138.78 9.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.658 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 23.5 p90 -131.23 144.24 51.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.893 HD13 HD12 ' A' ' 51' ' ' LEU . 6.1 tp -46.51 126.84 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 109.223 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.08 94.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.61 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.6 m -178.6 159.06 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 0.78 . . . . 0.0 110.037 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 30' ' ' ILE . 2.0 mp -111.48 122.19 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.25 -29.69 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' H ' HG22 ' A' ' 33' ' ' ILE . 4.3 mtmp? 46.7 57.84 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' N ' ' HB2' ' A' ' 40' ' ' ALA . . . -108.99 -54.8 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.469 1.106 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.59 -37.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -94.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.779 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 45' ' ' ILE . 17.5 t -64.88 -13.38 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.468 ' HB2' ' N ' ' A' ' 36' ' ' GLY . . . -61.74 -43.58 98.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.55 -23.08 58.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.238 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' HB2' ' HA ' ' A' ' 39' ' ' VAL . 42.9 t0 -49.34 -45.03 45.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 143.02 60.05 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 36.49 55.79 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 46' ' ' GLU . 15.6 mm -42.83 164.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 2.2 mt-10 -126.27 162.33 46.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.698 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.04 -39.66 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.486 1.782 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.703 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.43 35.41 3.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.395 1.059 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 50' ' ' MET . 42.3 t0 -80.33 -25.96 39.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.509 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.59 53.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.893 HD12 HD13 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -94.87 90.34 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.948 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -133.46 9.1 3.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.468 ' HG3' ' CB ' ' A' ' 84' ' ' THR . 3.9 pt20 -135.59 152.76 51.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.749 HG23 HD21 ' A' ' 71' ' ' LEU . 78.7 t -137.04 155.37 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 54' ' ' VAL . 23.8 t30 36.08 -140.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -79.24 5.04 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.3 t -84.83 156.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -152.1 89.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.638 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.7 m-85 -77.96 51.01 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -66.15 -65.44 0.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -51.17 -22.38 2.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.638 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -67.93 -81.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' MET . 3.3 t 34.15 49.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.973 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.45 ' C ' ' N ' ' A' ' 66' ' ' ASP . 2.9 t30 -90.4 28.94 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 39.68 29.86 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' N ' ' C ' ' A' ' 64' ' ' ASN . 6.6 p30 -162.92 28.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.95 -14.5 23.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.947 HG23 HG12 ' A' ' 16' ' ' ILE . 2.6 t -59.98 -41.63 86.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.58 -25.16 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.621 HG22 ' OE1' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -109.08 -44.26 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.749 HD21 HG23 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -52.45 -40.85 62.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' SER . 21.3 ttp180 -65.89 -17.81 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.621 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -79.75 -21.27 44.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.8 mm -68.15 -90.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.484 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.11 -39.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.7 t -52.61 -64.04 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 109.99 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' ILE . 4.7 mt-30 -132.81 -129.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 69.0 p -43.0 166.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.441 1.088 . . . . 0.0 110.34 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.19 120.42 4.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.432 1.083 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HG2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.01 145.08 30.96 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.059 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 82' ' ' SER . 1.7 mt -78.59 146.83 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.59 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.2 m 152.5 49.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.654 HD22 HG22 ' A' ' 54' ' ' VAL . 6.3 mt -35.69 152.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.468 ' CB ' ' HG3' ' A' ' 53' ' ' GLN . 52.1 m -141.16 144.23 34.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.4 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 51' ' ' LEU . 4.0 m -133.18 152.33 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -110.57 37.81 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.658 ' HZ2' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER 53.83 170.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . 174.96 66.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.584 1.177 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 51.2 63.58 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.8 103.41 0.23 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 105.95 2.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.658 HG22 ' HZ2' ' A' ' 87' ' ' LYS . 15.0 t -98.5 144.89 28.94 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.59 1.181 . . . . 0.0 110.344 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.4 Cg_endo -74.97 170.23 20.87 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.002 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -100.43 172.12 7.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 109.936 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.803 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 7.5 t . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.0 t -74.85 121.23 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m -129.92 104.94 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.477 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD11 HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -96.24 173.6 7.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -145.9 104.09 3.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -151.84 77.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 58.22 169.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 21.4 ttp-105 -123.83 77.59 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -96.14 172.68 7.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -108.33 62.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.661 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -166.44 135.64 3.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.36 -60.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.28 75.8 1.26 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.422 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.3 pp -136.21 177.61 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -171.82 159.91 5.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.026 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.008 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pp -112.17 173.58 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.972 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.4 p -160.51 168.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.432 1.083 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.543 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -138.82 -165.17 10.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 173.45 67.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 0.797 . . . . 0.0 110.297 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -49.01 160.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 65.27 85.99 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -149.74 -52.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.74 69.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 36.45 57.78 1.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.054 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 168.99 118.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 0.796 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.96 -62.92 1.1 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.84 82.27 0.05 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 17' ' ' VAL . 44.3 mm -53.61 137.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.651 ' CE2' HG13 ' A' ' 17' ' ' VAL . 8.8 p90 -127.2 158.55 36.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.875 HD13 HD12 ' A' ' 51' ' ' LEU . 4.8 tp -54.47 126.65 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -63.7 -43.87 97.2 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.49 ' C ' HD12 ' A' ' 33' ' ' ILE . 1.8 m 179.84 157.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.839 HD13 HG22 ' A' ' 45' ' ' ILE . 4.4 mp -125.4 129.2 72.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.423 1.077 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.486 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 1.2 mtt -51.89 88.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.74 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -40.18 159.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 40.33 78.26 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.389 1.056 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.11 -126.95 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.63 -76.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.505 ' CG1' HG13 ' A' ' 45' ' ' ILE . 15.4 t -75.02 -26.9 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -64.23 -47.86 78.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -15.3 63.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.08 -51.38 69.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . -175.97 53.48 0.12 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.572 1.17 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 34.92 58.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.35 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.839 HG22 HD13 ' A' ' 33' ' ' ILE . 16.5 mm -42.11 163.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.4 mt-10 -127.16 162.34 48.7 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.333 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.98 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -85.66 23.0 9.42 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.499 1.124 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -65.51 -30.08 70.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.53 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 83.37 48.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.597 1.185 . . . . 0.0 111.022 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.88 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.4 tm? -85.2 81.09 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.72 7.75 10.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.385 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' THR . 2.2 pt20 -136.51 148.71 47.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 83' ' ' LEU . 24.1 t -140.46 150.98 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 54' ' ' VAL . 4.5 t-20 35.49 -139.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.67 4.89 14.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.13 157.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.407 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 8.1 m120 -151.34 89.88 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CD1' ' HE1' ' A' ' 62' ' ' MET . 21.2 m-85 -82.98 54.54 2.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.547 ' HG3' HD21 ' A' ' 52' ' ' LEU . 3.1 mt-10 -75.84 -52.44 10.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -11.21 45.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.545 ' HE1' ' CD1' ' A' ' 59' ' ' PHE . 1.7 tpp -73.1 -83.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.4 t 30.22 42.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 109.974 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' MET . 39.7 t30 -65.98 -66.27 0.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 65' ' ' ASP . 8.7 t0 166.09 -37.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.247 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.33 46.78 2.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.22 -19.09 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.008 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -51.23 -41.16 23.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -43.5 -24.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -106.61 -48.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.01 -41.52 47.38 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 76' ' ' SER . 3.7 tpt180 -64.68 -18.97 65.46 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -79.06 -21.32 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.472 HD13 ' HA3' ' A' ' 79' ' ' GLY . 3.2 mm -63.34 -92.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.822 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.76 -39.66 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 8.1 t -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.0 mt-30 -126.37 -116.52 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 77' ' ' GLN . 73.5 p -50.62 -174.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.394 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.472 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 71.65 115.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -75.01 147.68 34.22 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.466 1.772 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.822 HD11 HG12 ' A' ' 75' ' ' VAL . 4.9 mt -73.49 144.4 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.4 1.063 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 4.6 t 155.69 44.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.803 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -37.37 146.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.499 1.124 . . . . 0.0 109.398 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.508 HG23 ' HA ' ' A' ' 1' ' ' THR . 54.8 m -140.87 146.93 38.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.88 HG12 ' HA ' ' A' ' 51' ' ' LEU . 19.1 m -133.48 153.38 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -94.83 41.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 52.16 174.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.367 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . -177.88 82.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER 87.31 148.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 130.97 65.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.0 m -149.03 74.93 9.95 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -177.74 3.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.041 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -128.4 170.62 12.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.257 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.978 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' VAL . 14.4 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' THR . 31.3 t -40.26 121.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.4 m -116.36 98.61 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -95.61 111.23 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -51.06 151.5 2.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.512 ' HB3' HD13 ' A' ' 81' ' ' ILE . 2.5 ttt -179.6 124.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.623 1.202 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.8 67.57 9.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 0.0 OUTLIER 40.31 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -111.74 166.84 10.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -115.48 179.88 3.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.6 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 58.72 113.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD22 HG12 ' A' ' 14' ' ' ILE . 0.2 OUTLIER -142.99 -62.31 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 85.28 59.0 1.99 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.528 HG12 HD22 ' A' ' 12' ' ' LEU . 1.9 pp -120.43 171.0 9.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.586 0.815 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -161.18 158.61 27.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.836 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -110.43 174.51 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.363 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.935 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.7 p -159.25 170.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.247 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -137.08 -164.48 10.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.96 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.2 m 60.66 148.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.071 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 23' ' ' ARG . 4.2 t-20 -125.19 148.24 48.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.56 -82.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -154.08 105.41 2.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 35.66 89.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.569 1.168 . . . . 0.0 111.047 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 169.39 105.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 109.387 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.17 -85.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.548 1.155 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 140.32 105.6 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.935 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.8 mm -50.35 139.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 0.751 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.565 ' CE2' HG13 ' A' ' 17' ' ' VAL . 3.7 p90 -134.01 160.52 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.973 HD13 HD12 ' A' ' 51' ' ' LEU . 4.6 tp -54.55 121.33 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -55.36 -49.6 63.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.467 ' C ' HD12 ' A' ' 33' ' ' ILE . 11.3 p 179.92 170.77 1.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 110.057 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.864 HG12 HG11 ' A' ' 39' ' ' VAL . 4.8 mp -126.84 138.09 55.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' LYS . 16.6 mtm -86.65 26.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.799 ' C ' ' HB2' ' A' ' 40' ' ' ALA . 12.7 mttt 37.58 40.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 40' ' ' ALA . . . -59.56 -124.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.122 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -124.46 -12.49 4.18 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.85 -83.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.864 HG11 HG12 ' A' ' 33' ' ' ILE . 19.9 t -65.54 -22.0 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.799 ' HB2' ' C ' ' A' ' 35' ' ' LYS . . . -67.75 -48.12 67.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.47 -28.44 44.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -51.04 71.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 156.74 -123.18 1.27 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.429 1.081 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 45' ' ' ILE . 7.4 mtm180 -113.84 54.05 0.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 0.724 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.678 HG13 HG13 ' A' ' 39' ' ' VAL . 10.5 mm -42.18 164.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 45' ' ' ILE . 3.0 mt-10 -126.69 162.55 46.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.587 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -74.99 -35.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.72 15.96 28.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.809 ' OD1' HG11 ' A' ' 85' ' ' VAL . 17.0 t70 -54.09 -30.38 48.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.523 0.779 . . . . 0.0 109.306 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.516 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.5 OUTLIER 82.33 50.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.973 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.34 82.7 6.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.971 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.9 1.76 8.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.648 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.8 pt20 -135.88 154.25 51.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.414 1.071 . . . . 0.0 110.343 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.846 HG22 ' HA ' ' A' ' 83' ' ' LEU . 14.5 t -140.39 151.16 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 5.5 t-20 38.89 -140.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.98 0.38 21.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.244 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -83.21 147.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.588 1.18 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -145.88 89.5 1.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' O ' ' CD2' ' A' ' 52' ' ' LEU . 21.4 m-85 -78.15 46.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.528 ' HA ' HD21 ' A' ' 52' ' ' LEU . 2.7 mm-40 -57.13 -77.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 m-20 -39.94 -44.78 1.75 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.501 ' HE2' ' CD1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -46.9 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.441 ' O ' ' OG ' ' A' ' 63' ' ' SER . 0.5 OUTLIER 45.47 23.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' N ' ' C ' ' A' ' 62' ' ' MET . 3.9 t-20 -50.79 163.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.361 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 33.5 t70 -83.8 44.92 1.02 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 160.45 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.75 -14.64 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.836 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -60.39 -40.27 83.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -43.01 -25.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' OE1' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.69 -49.75 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.828 HD11 HG21 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -48.83 -42.92 37.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.1 OUTLIER -61.45 -21.87 64.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.723 ' OE1' HG22 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -74.84 -19.52 60.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 0.0 110.337 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.5 mm -69.27 -91.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -37.86 -37.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 9.0 t -53.23 -57.93 8.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.426 1.079 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' O ' ' O ' ' A' ' 78' ' ' THR . 5.9 mt-30 -137.02 -123.8 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 72.7 p -46.52 174.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.25 121.36 1.06 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.0 154.47 42.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 75' ' ' VAL . 3.6 mt -85.71 146.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.596 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 2.5 p 151.82 45.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.846 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -31.72 144.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.468 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 85.3 m -130.76 142.3 50.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.363 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.857 HG12 ' HA ' ' A' ' 51' ' ' LEU . 12.8 m -136.23 154.93 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.78 39.39 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.0 OUTLIER 53.14 173.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 87' ' ' LYS . . . 176.97 90.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' ASP . 0.4 OUTLIER 74.16 117.73 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 107.968 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 89' ' ' TRP . 2.9 p30 -39.37 99.95 0.2 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' N ' ' O ' ' A' ' 89' ' ' TRP . 18.5 Cg_endo -74.97 -162.84 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.557 1.82 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.1 t -91.26 146.65 33.89 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.377 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.3 Cg_endo -74.98 174.24 13.12 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.44 1.758 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -143.49 170.96 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.754 ' HA ' HG22 ' A' ' 85' ' ' VAL . 2.0 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.8 t -144.31 126.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.0 m -102.9 97.26 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.506 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -96.47 171.99 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -118.94 138.28 52.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 7' ' ' GLU . 1.6 mtm 169.59 123.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 6' ' ' MET . 0.4 OUTLIER -44.63 169.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 10.3 ptt180 -105.58 131.18 53.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 8' ' ' ARG . 0.3 OUTLIER 169.07 166.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.618 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -57.31 92.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.55 175.43 7.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.13 96.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.1 104.22 1.61 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 pp -126.69 174.23 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -157.45 156.17 31.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 109.942 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 66' ' ' ASP . 1.2 pp -121.89 174.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 29' ' ' TYR . 8.5 p -169.66 174.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -125.46 -167.92 12.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' HB3' ' CB ' ' A' ' 22' ' ' ASP . 0.0 OUTLIER 173.72 86.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 0.752 . . . . 0.0 110.258 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 25' ' ' ASP . 58.7 m -40.15 -57.04 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -98.4 96.3 7.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CB ' ' HB3' ' A' ' 19' ' ' GLN . 10.1 t70 177.65 87.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER 66.67 123.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 37.42 30.74 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 23' ' ' ARG . 3.1 t0 41.63 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.09 -168.67 18.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.582 ' O ' ' CZ ' ' A' ' 29' ' ' TYR . . . 101.17 96.89 2.27 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 ' O ' ' A' ' 17' ' ' VAL . 35.3 mm -60.9 131.62 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.926 ' O ' HG12 ' A' ' 17' ' ' VAL . 17.7 m-85 -124.04 143.62 50.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.081 HD13 HD12 ' A' ' 51' ' ' LEU . 5.7 tp -52.12 120.58 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -49.33 -47.09 35.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.702 ' C ' HD12 ' A' ' 33' ' ' ILE . 89.7 p -179.83 168.29 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.786 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.702 HD12 ' C ' ' A' ' 32' ' ' SER . 1.8 mp -113.44 122.15 67.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.8 mmt -45.97 -25.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.603 ' H ' HG22 ' A' ' 33' ' ' ILE . 4.6 mtmm 46.6 62.83 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.42 ' N ' ' HB2' ' A' ' 40' ' ' ALA . . . -106.3 -52.1 0.79 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.28 -34.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.46 -85.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 0.722 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 45' ' ' ILE . 16.6 t -73.58 -13.6 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB2' ' N ' ' A' ' 36' ' ' GLY . . . -63.22 -33.9 76.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.09 -26.44 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.34 -40.03 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.494 ' O ' ' C ' ' A' ' 44' ' ' ARG . . . 135.94 69.28 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER 30.8 55.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.332 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG13 ' CG1' ' A' ' 39' ' ' VAL . 7.7 mm -42.26 164.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.51 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 1.7 mt-10 -123.04 165.24 22.93 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.581 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.94 -31.47 6.28 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -86.17 17.85 35.46 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.4 OUTLIER -57.38 -32.34 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 0.744 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.548 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.73 48.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.081 HD12 HD13 ' A' ' 30' ' ' ILE . 1.5 tm? -87.3 77.25 9.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -120.54 -0.08 10.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.69 ' N ' HD13 ' A' ' 52' ' ' LEU . 3.7 pt20 -134.95 155.08 51.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 83' ' ' LEU . 18.7 t -140.32 153.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' PRO . 4.4 t-20 37.77 -140.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 2.39 17.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.554 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.2 t -83.4 153.82 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 42.2 p-10 -151.66 89.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.645 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 23.1 m-85 -80.2 48.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 52' ' ' LEU . 5.8 mm-40 -63.04 -68.68 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -47.38 -31.03 3.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.645 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -57.83 -81.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.487 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 32.58 53.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ASP . 16.3 t30 -91.63 26.49 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.547 ' HA ' HD12 ' A' ' 28' ' ' ILE . 54.1 t0 45.52 26.08 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.082 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' HA ' HD11 ' A' ' 16' ' ' ILE . 4.4 p30 -164.31 29.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.32 -19.61 5.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.6 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -54.1 -42.52 55.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -25.83 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -109.59 -47.23 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.608 HD11 HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -49.34 -43.67 43.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -20.46 63.37 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.2 pt-20 -77.21 -19.53 56.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.215 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 78' ' ' THR . 1.6 mm -67.89 -91.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -36.65 -37.64 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 t -55.4 -61.47 2.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.914 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 78' ' ' THR . 3.7 mt-30 -133.39 -130.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 77.5 p -43.21 167.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.37 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.49 115.56 2.72 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.3 Cg_endo -75.0 146.69 32.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -78.24 146.76 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.6 m 154.14 47.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.869 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -30.09 142.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.465 ' C ' ' HG3' ' A' ' 53' ' ' GLN . 87.1 m -132.03 141.52 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.797 HG12 ' HA ' ' A' ' 51' ' ' LEU . 5.3 m -137.32 155.13 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.253 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.46 36.74 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 54.22 171.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 89' ' ' TRP . . . -179.72 60.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CB ' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 86.79 66.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 107.979 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -89.48 113.7 57.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 56.05 4.18 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.476 1.777 . . . . 0.0 111.053 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 m 40.59 89.65 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -59.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -69.79 168.43 15.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.594 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 8.8 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 2' ' ' VAL . 3.4 t -64.39 143.91 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 m -122.72 101.41 7.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.96 HD11 ' CG2' ' A' ' 39' ' ' VAL . 3.0 mt -48.93 173.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -114.8 -169.06 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.2 169.52 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.966 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.83 179.86 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.61 ' HA ' HD12 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -46.05 144.01 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -139.38 177.59 7.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 109.652 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -121.82 58.34 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.535 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -171.62 111.4 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.038 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.81 120.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.32 93.45 0.64 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.433 1.083 . . . . 0.0 110.956 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.536 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.0 pp -124.88 171.65 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.435 ' O ' HD12 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -159.54 157.72 30.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.997 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.823 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pp -112.04 175.02 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.906 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.6 p -166.85 172.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.56 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -134.1 -162.44 9.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.39 -45.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.236 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.96 92.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.4 t30 178.12 155.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -42.04 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' GLY . 2.2 tpt180 -177.19 90.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.45 58.93 1.06 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.625 1.203 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 t70 40.35 88.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 40.38 -140.41 1.03 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.547 1.154 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.67 86.51 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.906 HG23 ' O ' ' A' ' 17' ' ' VAL . 45.3 mm -57.24 134.76 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.256 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.68 ' CE2' HG13 ' A' ' 17' ' ' VAL . 11.5 p90 -127.2 159.15 35.17 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.486 1.116 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.99 HD13 HD12 ' A' ' 51' ' ' LEU . 5.8 tp -55.29 123.93 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 47' ' ' PRO . . . -59.96 -43.69 97.88 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.518 ' C ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 180.0 160.94 0.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.954 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.785 HD11 HG21 ' A' ' 30' ' ' ILE . 4.3 mp -123.52 121.02 61.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.395 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -52.8 93.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.44 1.087 . . . . 0.0 111.05 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.803 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -45.01 169.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' LYS . . . 36.86 70.79 0.21 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 40' ' ' ALA . . . -154.03 -125.11 0.99 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -85.73 -81.78 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 0.733 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.96 ' CG2' HD11 ' A' ' 4' ' ' LEU . 1.0 OUTLIER -71.25 -19.74 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.803 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -69.71 -48.29 60.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.73 -20.53 65.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.23 -50.67 72.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' ALA . . . -162.17 -141.08 3.03 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.502 1.126 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 45' ' ' ILE . 1.1 mtt180 -119.02 55.04 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 110.327 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.739 HG22 HD13 ' A' ' 33' ' ' ILE . 31.5 mm -41.35 162.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.352 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -133.8 161.51 63.3 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -75.01 -34.42 3.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 110.988 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -84.78 19.6 19.75 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -60.87 -29.89 69.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.505 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 81.32 48.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.99 HD12 HD13 ' A' ' 30' ' ' ILE . 1.3 tm? -89.27 84.52 6.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.01 0.49 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.17 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.7 pt20 -131.6 150.51 52.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.915 HG22 ' HA ' ' A' ' 83' ' ' LEU . 9.8 t -139.97 150.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' C ' ' O ' ' A' ' 54' ' ' VAL . 6.5 t-20 34.7 -137.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.08 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -80.86 4.14 20.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 58' ' ' ASN . 1.8 t -80.11 160.17 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 35.9 m120 -155.56 94.44 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.729 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.4 m-85 -81.23 22.62 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -53.58 152.36 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.45 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 1.3 t-20 77.89 -50.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.548 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -35.82 -64.46 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.548 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.5 t 27.25 54.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.066 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.9 12.33 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 52.92 20.72 1.74 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -164.1 29.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.81 -14.71 16.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.823 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -55.73 -41.26 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -43.06 -25.31 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -103.41 -47.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.729 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -49.75 -43.18 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 76' ' ' SER . 7.8 tpt180 -63.12 -19.02 64.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' VAL . 1.3 pt-20 -78.78 -20.56 49.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.453 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.2 mm -65.76 -92.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.956 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.54 -38.44 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 5.9 t -51.97 -62.56 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.3 mt-30 -130.71 -116.74 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 45.4 p -52.58 -172.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.407 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.453 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 70.93 115.64 0.04 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.567 1.167 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.4 Cg_endo -74.97 148.59 35.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.956 HD11 HG12 ' A' ' 75' ' ' VAL . 3.1 mt -76.48 146.25 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 3.5 t 155.32 45.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.992 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.915 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.3 OUTLIER -33.44 145.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 109.281 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.519 ' N ' ' O ' ' A' ' 53' ' ' GLN . 91.0 m -140.02 143.29 36.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.936 HG12 ' HA ' ' A' ' 51' ' ' LEU . 14.9 m -134.88 153.94 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -94.01 41.07 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.635 1.21 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 51.63 175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . -173.54 80.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.2 t90 77.26 93.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.013 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -92.37 132.54 31.73 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.46 0.23 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.802 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.3 m -118.98 124.49 28.26 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.459 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 39.45 58.18 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.55 ' HB ' HG23 ' A' ' 84' ' ' THR . 4.6 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.498 HG12 HD23 ' A' ' 4' ' ' LEU . 76.1 t -136.66 137.41 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.0 m -124.65 99.79 6.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD22 ' OD2' ' A' ' 42' ' ' ASP . 0.1 OUTLIER -98.8 77.54 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 52.67 175.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.02 77.98 1.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.795 ' O ' HD12 ' A' ' 81' ' ' ILE . 1.9 tt0 -113.5 -179.99 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -178.86 84.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 179.02 72.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.29 144.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -59.62 166.21 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -146.27 99.12 3.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.04 73.32 2.31 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.123 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.9 pp -122.11 172.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . 23.2 p -159.8 152.26 21.09 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.946 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.821 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -110.01 176.58 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.832 ' O ' HG23 ' A' ' 28' ' ' ILE . 9.1 p -167.06 170.6 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.558 ' N ' HG22 ' A' ' 17' ' ' VAL . . . -140.7 -155.33 6.48 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.439 1.087 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 175.04 -57.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.5 p 63.84 148.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -147.9 133.64 18.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 46.67 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 54.06 95.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.79 -139.2 0.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 65.95 98.79 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 0.793 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.11 99.37 0.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.45 122.9 21.82 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.832 HG23 ' O ' ' A' ' 17' ' ' VAL . 47.5 mm -51.51 140.38 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.619 ' O ' HG12 ' A' ' 17' ' ' VAL . 19.4 p90 -131.38 142.89 50.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.783 HG21 HD11 ' A' ' 33' ' ' ILE . 5.2 tp -48.27 123.34 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.37 -43.4 95.74 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.517 1.135 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.472 ' C ' HD12 ' A' ' 33' ' ' ILE . 3.9 p -179.0 151.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 0.718 . . . . 0.0 109.996 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.08 HG22 ' HB2' ' A' ' 40' ' ' ALA . 1.8 mp -114.3 123.16 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.509 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -63.74 85.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.18 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.952 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 9.6 mttt -38.99 129.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.41 51.71 3.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.488 1.118 . . . . 0.0 111.053 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.522 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -145.33 -127.68 1.96 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -84.04 -74.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.304 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' HG13 ' A' ' 45' ' ' ILE . 3.4 t -81.08 -27.64 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.08 ' HB2' HG22 ' A' ' 33' ' ' ILE . . . -66.48 -44.35 82.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -68.27 -22.32 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.507 ' OD2' HD22 ' A' ' 4' ' ' LEU . 10.0 t0 -53.65 -47.63 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.373 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.4 -147.79 6.46 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' ILE . 3.3 ttp180 -95.88 44.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.498 HG13 ' CG1' ' A' ' 39' ' ' VAL . 40.5 mm -40.57 160.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 47' ' ' PRO . 3.1 mt-10 -127.51 164.62 35.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.642 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.0 Cg_endo -75.06 -34.79 3.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.77 22.93 15.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -64.99 -26.06 68.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 0.798 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.545 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.6 OUTLIER 85.71 54.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 83' ' ' LEU . 1.5 tm? -88.35 78.67 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.24 0.8 6.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' THR . 3.2 pt20 -138.16 152.22 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 110.245 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.89 HG22 ' HA ' ' A' ' 83' ' ' LEU . 42.1 t -140.32 157.38 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 3.0 t-20 39.17 -141.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.45 7.93 10.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.4 t -87.55 159.87 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 76.9 m-20 -156.19 90.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.592 ' CG ' ' CE ' ' A' ' 62' ' ' MET . 22.4 m-85 -77.32 52.93 0.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.568 1.167 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -65.63 -65.23 0.7 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.91 -17.95 7.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.592 ' CE ' ' CG ' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -70.62 -76.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.54 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.2 t 26.46 52.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.957 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' C ' ' N ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -91.31 28.76 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER 41.09 28.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.501 ' HA ' HD11 ' A' ' 16' ' ' ILE . 23.8 m-20 -166.95 30.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -14.75 25.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 16' ' ' ILE . 2.4 t -57.88 -38.9 68.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -22.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -110.38 -46.91 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -50.03 -41.89 48.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.447 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.7 OUTLIER -64.12 -19.61 65.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.5 pt-20 -78.21 -19.53 53.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' VAL . 1.9 mm -67.59 -92.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.958 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.29 -38.14 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.2 t -52.05 -59.95 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -133.67 -118.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.223 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 ' O ' ' O ' ' A' ' 77' ' ' GLN . 50.7 p -52.06 -173.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.424 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.411 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 73.6 118.22 0.08 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 148.57 35.33 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.958 HD11 HG12 ' A' ' 75' ' ' VAL . 3.0 mt -77.17 146.46 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.559 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.4 m 153.36 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.89 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.12 144.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.562 HG22 ' HG3' ' A' ' 53' ' ' GLN . 50.5 m -130.24 148.81 52.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.616 HG23 ' H ' ' A' ' 87' ' ' LYS . 3.0 m -144.58 155.04 14.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -92.96 37.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.616 ' H ' HG23 ' A' ' 85' ' ' VAL . 0.0 OUTLIER 53.54 172.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.221 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.6 91.61 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' ASP . 1.7 m-90 67.42 64.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' TRP . 0.6 OUTLIER -40.24 115.06 1.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 58.52 4.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.483 1.78 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -38.72 125.94 1.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -46.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.442 1.759 . . . . 0.0 110.946 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.32 134.81 23.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.667 ' HB ' HG23 ' A' ' 84' ' ' THR . 1.8 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.5 t -144.47 128.19 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.7 m -102.42 96.42 6.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 110.444 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.627 HD11 HG23 ' A' ' 39' ' ' VAL . 5.3 mt -61.08 179.87 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.21 -176.88 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 109.28 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.9 ttm -72.2 126.07 28.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 177.71 156.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.905 ' HG2' HD12 ' A' ' 81' ' ' ILE . 6.6 mtm180 -172.92 73.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 10' ' ' HIS . 4.9 t60 -177.26 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' HIS . 1.4 t60 -39.48 156.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -76.23 178.36 6.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.26 -64.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.42 63.03 1.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.605 1.191 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.679 ' HB ' HD11 ' A' ' 30' ' ' ILE . 1.2 pt -123.28 175.28 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 0.752 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.6 OUTLIER -154.28 152.37 30.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.65 HG12 HG23 ' A' ' 68' ' ' VAL . 1.1 pt -107.42 177.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.2 p -173.36 175.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.624 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -146.8 -170.44 15.21 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.3 pt20 -143.3 40.74 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 0.742 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' GLN . 62.0 p -38.94 121.88 1.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.168 . . . . 0.0 110.028 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 177.75 124.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 66.39 169.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -48.64 141.52 7.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.454 1.096 . . . . 0.0 110.236 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.19 -149.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.06 116.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.566 0.803 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.3 -57.46 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.66 83.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 17' ' ' VAL . 20.7 mm -53.96 136.59 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 17' ' ' VAL . 2.1 p90 -137.07 158.94 43.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.697 HG21 HD11 ' A' ' 33' ' ' ILE . 4.3 tp -54.8 119.07 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 15' ' ' SER . . . -58.88 -43.97 96.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.563 1.164 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.532 ' C ' HD12 ' A' ' 33' ' ' ILE . 92.6 p 179.96 161.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 109.955 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.972 HD13 ' CG2' ' A' ' 45' ' ' ILE . 4.7 mp -130.41 127.6 62.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' LYS . 5.6 mmt -63.94 89.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' MET . 43.2 mttt -39.7 103.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.448 ' H ' ' HB1' ' A' ' 40' ' ' ALA . . . 129.31 71.83 0.13 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.5 -125.87 0.79 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 4' ' ' LEU . . . -77.7 -87.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.792 ' CG1' HD13 ' A' ' 45' ' ' ILE . 2.7 t -78.07 -13.97 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HB1' ' H ' ' A' ' 36' ' ' GLY . . . -71.59 -46.6 58.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.3 -17.7 61.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -42.05 98.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.48 -102.94 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -160.11 76.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.972 ' CG2' HD13 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -50.09 179.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.661 ' N ' HG23 ' A' ' 45' ' ' ILE . 6.3 mt-10 -142.91 160.35 53.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.651 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.3 Cg_endo -75.01 -36.89 2.27 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.565 1.824 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.785 ' O ' ' HB3' ' A' ' 88' ' ' ALA . . . -85.53 31.78 3.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 50' ' ' MET . 0.7 OUTLIER -76.59 -30.83 57.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.542 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.79 47.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.948 ' HA ' HG12 ' A' ' 85' ' ' VAL . 3.2 tm? -85.88 81.93 8.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -124.46 1.66 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.842 HE22 ' HB2' ' A' ' 86' ' ' ALA . 4.6 pt20 -134.25 151.57 51.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.071 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 83' ' ' LEU . 7.5 t -139.9 152.37 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.1 t-20 36.14 -139.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -80.11 4.34 17.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.1 t -82.01 160.43 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 84.6 m-20 -156.11 92.83 1.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.669 ' HE2' HD12 ' A' ' 71' ' ' LEU . 21.9 m-85 -81.46 38.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 2.5 mm-40 -69.02 147.98 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 110.36 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.3 OUTLIER 81.27 -44.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.589 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -38.81 -61.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.589 ' C ' ' O ' ' A' ' 62' ' ' MET . 2.9 t 22.66 58.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 66' ' ' ASP . 9.5 t-20 -88.73 22.48 2.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t0 48.32 24.23 0.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 64' ' ' ASN . 4.1 p30 -173.0 34.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.168 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.6 -17.29 8.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.65 HG23 HG12 ' A' ' 16' ' ' ILE . 2.3 t -57.07 -38.14 58.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -23.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.241 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG1' ' CZ ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -104.85 -49.45 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.0 -43.45 40.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -61.6 -20.83 63.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 1.6 pt-20 -76.18 -20.61 57.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.461 HD13 ' HA3' ' A' ' 79' ' ' GLY . 2.0 mm -66.51 -92.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.859 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -38.44 -38.28 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 7.6 t -52.55 -60.6 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 110.014 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 78' ' ' THR . 2.2 mt-30 -132.14 -119.06 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 16.4 p -52.09 -173.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 72.82 114.63 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.2 Cg_endo -75.03 151.84 39.86 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.905 HD12 ' HG2' ' A' ' 8' ' ' ARG . 1.4 mt -77.97 147.22 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.09 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 1.5 m 155.91 50.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.017 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.926 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -32.61 141.8 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.667 HG23 ' HB ' ' A' ' 1' ' ' THR . 98.0 m -137.46 138.91 40.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.948 HG12 ' HA ' ' A' ' 51' ' ' LEU . 15.7 m -133.23 151.17 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.842 ' HB2' HE22 ' A' ' 53' ' ' GLN . . . -108.48 36.61 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER 57.94 171.02 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . 175.3 58.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.0 t-105 -176.36 172.46 2.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 107.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.88 155.74 1.91 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.172 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.412 1.743 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 1.3 m -154.76 137.48 10.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 110.361 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.2 Cg_endo -75.03 174.66 12.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.79 168.18 18.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 110.216 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.019 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.792 ' H2 ' HG22 ' A' ' 85' ' ' VAL . 7.4 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 2' ' ' VAL . 10.9 t -50.33 133.99 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m -111.41 97.4 6.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.569 1.168 . . . . 0.0 110.302 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.619 HD21 HG22 ' A' ' 39' ' ' VAL . 9.1 mt -50.89 175.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.11 -70.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.3 ttt -166.03 -149.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.86 119.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.828 HH21 ' H ' ' A' ' 81' ' ' ILE . 22.7 ttm105 -142.41 74.58 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 174.49 128.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.609 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 54.64 173.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 59.22 177.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 81.39 90.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 93.55 0.8 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.472 ' HB ' HD11 ' A' ' 30' ' ' ILE . 2.3 pp -128.71 176.17 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -158.44 164.61 36.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.751 HG12 HG23 ' A' ' 68' ' ' VAL . 1.2 pt -109.04 179.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 1.007 ' O ' HG23 ' A' ' 28' ' ' ILE . 7.0 p -172.52 174.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -145.53 -162.12 9.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.6 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m 60.88 167.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 62.38 97.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -176.14 155.96 1.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.24 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -63.4 103.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 36.44 84.44 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t0 171.2 100.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.63 88.48 0.16 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.87 115.44 0.7 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.007 HG23 ' O ' ' A' ' 17' ' ' VAL . 26.4 mm -45.51 139.08 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.65 ' CE2' HG13 ' A' ' 17' ' ' VAL . 2.8 p90 -128.46 167.62 16.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 33' ' ' ILE . 5.0 tp -58.47 121.83 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.494 ' HA2' ' CG1' ' A' ' 17' ' ' VAL . . . -56.25 -45.03 89.09 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.403 1.064 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 33' ' ' ILE . 94.2 p -179.58 166.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 30' ' ' ILE . 3.7 mp -128.11 122.09 57.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 40' ' ' ALA . 2.8 mmt -69.3 79.99 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.934 ' HA ' ' HB1' ' A' ' 40' ' ' ALA . 22.1 pttp -39.09 128.64 1.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.44 52.57 1.69 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.48 1.113 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 41' ' ' ALA . . . -152.36 -125.7 1.15 Allowed Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.506 ' HB2' ' HD2' ' A' ' 11' ' ' PHE . . . -80.2 -83.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 0.731 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD21 ' A' ' 4' ' ' LEU . 2.1 t -79.91 -19.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.934 ' HB1' ' HA ' ' A' ' 35' ' ' LYS . . . -71.14 -43.69 67.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . -72.13 -20.78 61.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -48.65 79.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -162.91 -145.06 4.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' O ' ' A' ' 45' ' ' ILE . 52.1 mtt180 -112.58 51.03 0.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.736 HG22 HD13 ' A' ' 33' ' ' ILE . 31.0 mm -42.36 164.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 45' ' ' ILE . 3.6 mt-10 -133.55 165.57 35.77 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.365 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HA ' HG23 ' A' ' 30' ' ' ILE . 18.4 Cg_endo -74.97 -36.05 2.8 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.811 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -81.64 16.73 18.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.725 ' OD1' HG11 ' A' ' 85' ' ' VAL . 32.4 t70 -58.65 -31.24 67.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.766 . . . . 0.0 109.263 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.537 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER 84.03 52.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.9 ' HA ' HG12 ' A' ' 85' ' ' VAL . 1.9 tm? -89.66 82.21 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.961 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -125.19 1.22 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.669 ' N ' HD13 ' A' ' 52' ' ' LEU . 4.0 pt20 -137.26 151.12 48.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 83' ' ' LEU . 17.9 t -140.79 151.51 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 54' ' ' VAL . 5.7 t-20 34.4 -138.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.27 4.37 17.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.0 t -80.26 159.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 25.8 p-10 -154.97 94.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.778 ' HE2' HD12 ' A' ' 71' ' ' LEU . 23.4 m-85 -80.29 22.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -55.05 150.24 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.236 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER 80.34 -46.13 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.55 ' O ' ' C ' ' A' ' 63' ' ' SER . 0.2 OUTLIER -40.02 -64.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.55 ' C ' ' O ' ' A' ' 62' ' ' MET . 4.6 t 27.05 47.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' MET . 28.7 t30 -84.59 10.11 11.94 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.531 ' OD1' HD11 ' A' ' 28' ' ' ILE . 6.2 m-20 52.15 21.05 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.74 24.46 0.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.23 -17.91 8.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 16' ' ' ILE . 2.1 t -52.32 -43.8 41.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 109.34 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -26.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 0.6 OUTLIER -104.9 -48.3 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.24 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.778 HD12 ' HE2' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -49.72 -43.66 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -63.81 -19.14 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER -78.74 -21.07 48.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 78' ' ' THR . 2.2 mm -65.59 -91.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.861 HG12 HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -39.09 -38.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 6.6 t -51.79 -64.11 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.002 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.411 ' O ' ' O ' ' A' ' 78' ' ' THR . 1.2 mt-30 -130.45 -118.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 68.9 p -50.11 -177.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' HD13 ' A' ' 74' ' ' ILE . . . 76.71 114.04 0.14 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HB2' ' ND2' ' A' ' 55' ' ' ASN . 18.5 Cg_endo -75.02 147.06 33.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.576 1.83 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.861 HD11 HG12 ' A' ' 75' ' ' VAL . 1.9 mt -75.94 143.06 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER 160.22 49.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.852 ' HA ' HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -31.09 140.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.497 ' N ' ' O ' ' A' ' 53' ' ' GLN . 93.0 m -134.19 136.92 44.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 110.448 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.9 HG12 ' HA ' ' A' ' 51' ' ' LEU . 20.8 m -136.09 155.28 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 87' ' ' LYS . . . -93.79 40.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HA ' ' CE ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER 53.77 171.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 48' ' ' GLY . . . 176.67 62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.68 -171.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 131.36 79.74 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.458 1.768 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.622 HG23 ' HD2' ' A' ' 93' ' ' PRO . 16.1 m -95.36 144.93 28.64 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.409 1.068 . . . . 0.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 92' ' ' THR . 18.2 Cg_endo -74.99 -175.32 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -101.82 172.13 7.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 -179.938 . . . . . . . . 1 1 . 1 stop_ save_