data_1fvn_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 1fvn _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.32 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -94.84 -12.03 27.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' CE2' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -100.06 -28.62 12.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -33.28 33.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.71 34.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.86 -13.61 35.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -86.46 -55.66 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -22.54 65.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE2' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -85.19 -45.83 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' CD1' ' CE2' ' A' ' 27' ' ' TYR . 25.5 mm . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.56 85.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.35 -23.36 56.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -92.64 -12.78 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.63 -29.07 12.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -77.65 -35.15 52.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.09 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -14.99 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' N ' HD12 ' A' ' 24' ' ' LEU . 2.8 mtm180 -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -21.73 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.0 -43.87 14.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.449 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.7 mm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.77 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.37 -21.48 50.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -95.14 -11.83 27.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -100.13 -28.89 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 -32.72 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.05 -22.59 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.1 -14.09 33.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -86.75 -57.43 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -21.12 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -46.24 11.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.522 ' CD1' ' CD2' ' A' ' 24' ' ' LEU . 19.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.42 81.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -58.43 -21.75 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -94.66 -12.0 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.03 -28.71 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -33.24 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 -22.56 34.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.46 36.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.9 tpt180 -84.62 -56.45 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.606 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.85 18.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.16 88.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.85 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -91.95 -13.17 31.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.406 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.25 -28.79 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -77.63 -35.35 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -26.12 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.05 -15.12 63.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' HD11 ' A' ' 24' ' ' LEU . 10.1 mtt180 -83.26 -60.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -23.21 48.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.559 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.92 -42.66 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.6 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.588 ' HA ' ' CD2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.35 -56.76 15.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 11.2 mmt180 -58.28 -23.55 56.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -100.45 14.31 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -129.52 -42.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -26.74 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.28 -13.15 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -74.76 -14.87 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -56.03 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -26.59 68.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -80.25 -38.65 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.5 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.28 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -58.32 -25.4 61.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.7 t80 -89.45 -14.66 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -33.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -66.34 -39.54 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.35 -10.78 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -94.45 -23.27 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -25.77 17.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.5 -29.25 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 19.1 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 -45.29 89.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -23.19 56.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -93.0 -12.68 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -34.18 10.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -37.85 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.77 -12.01 60.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -73.38 -17.89 61.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -75.69 -25.99 57.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -99.29 -22.9 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -88.03 -15.38 36.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 3.6 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.62 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.95 -11.81 27.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.14 -28.74 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 -33.16 33.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -22.74 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.8 -13.77 37.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.76 -58.54 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -62.72 -24.53 67.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CE2' HD13 ' A' ' 28' ' ' ILE . 2.9 t80 -81.14 -37.42 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 27' ' ' TYR . 24.6 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.29 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -58.42 -21.72 51.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.5 t80 -94.78 -11.93 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.04 -28.62 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -81.36 -33.3 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.77 35.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.52 -13.86 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' N ' HD11 ' A' ' 24' ' ' LEU . 6.1 tpt180 -82.7 -61.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -24.37 57.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.97 -40.82 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.5 mm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.45 -49.11 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -58.39 -21.6 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -94.98 -11.94 27.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -99.96 -28.85 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t -81.18 -33.23 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.82 34.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.54 -13.82 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.3 tpt180 -82.34 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -24.87 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.74 -40.28 22.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' CD2' ' A' ' 24' ' ' LEU . 32.0 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.1 77.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -58.33 -21.23 48.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -95.28 -12.0 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.19 -28.75 12.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -32.97 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.73 34.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.547 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.0 -13.51 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' N ' HD11 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.52 -59.24 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -23.62 62.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -83.25 -41.69 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.62 80.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -58.39 -21.37 50.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.23 -11.73 27.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.2 -28.86 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -32.97 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.82 -22.26 34.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.9 -13.65 36.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.37 -58.57 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -22.6 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -43.78 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.2 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.42 78.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -58.38 -21.69 51.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -94.97 -11.96 27.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.87 -28.57 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -34.15 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.42 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.7 -14.28 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.42 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -20.37 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' CD2' HG12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -88.08 -42.19 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 27' ' ' TYR . 34.8 mm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.97 77.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -21.4 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.16 -11.83 27.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -28.78 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -33.17 32.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -22.84 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.32 -13.9 33.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -83.16 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -56.56 -24.27 45.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.621 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -82.91 -41.24 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 24' ' ' LEU . 34.3 mm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.79 84.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.63 57.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -92.33 -12.73 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.44 -28.87 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -35.3 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.86 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.98 -15.23 62.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' HD11 ' A' ' 24' ' ' LEU . 14.4 mtt-85 -82.61 -63.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -22.92 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.76 -43.02 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 HG13 ' CD2' ' A' ' 24' ' ' LEU . 25.8 mm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.98 75.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -58.36 -22.11 52.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.3 t80 -94.38 -11.96 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.61 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -81.25 -33.21 32.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.53 -22.95 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.5 -13.8 34.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.06 -60.32 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.38 -22.28 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.46 -41.85 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.2 mm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.07 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.43 -23.57 57.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.34 -12.9 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.39 -28.8 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -35.31 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.95 -15.16 62.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.94 -59.8 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -21.82 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE2' HD11 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -84.89 -45.23 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 HG13 ' CD2' ' A' ' 24' ' ' LEU . 35.4 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -48.02 76.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -24.05 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.74 -13.11 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.27 -28.82 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -35.36 53.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -25.3 38.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -68.45 -14.99 63.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -83.47 -60.18 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -23.43 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.447 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.1 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.83 -48.59 63.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -58.39 -21.15 49.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -95.5 -11.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.5 13.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -33.37 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.39 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.93 -13.67 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -84.57 -58.92 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.74 -23.31 63.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.581 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.88 -42.74 17.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.952 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -58.41 -21.84 52.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -94.63 -12.03 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.92 -28.11 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -34.45 32.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.43 -23.09 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.82 -13.72 36.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -84.45 -59.92 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -23.42 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.651 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.5 -41.99 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.945 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.8 74.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -58.44 -23.85 58.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.97 -13.01 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.44 -28.71 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -77.71 -35.34 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.27 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.93 -15.06 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' N ' HD11 ' A' ' 24' ' ' LEU . 26.8 mtt85 -83.39 -60.6 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -23.2 50.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -83.84 -42.62 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 25.7 mm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.86 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -58.37 -24.35 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -91.44 -13.3 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.409 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.94 -29.04 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 -35.54 53.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.65 -24.2 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -69.87 -15.06 63.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -83.49 -59.83 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -23.07 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -42.92 16.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG13 ' CD2' ' A' ' 24' ' ' LEU . 22.8 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.53 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -58.41 -21.18 49.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.45 -11.8 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.37 -28.84 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -81.14 -32.76 33.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -22.89 33.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.42 36.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' N ' HD11 ' A' ' 24' ' ' LEU . 5.4 ttt85 -85.49 -59.33 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -58.78 -22.78 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -83.67 -43.84 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.3 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.965 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.45 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -21.76 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -94.7 -11.98 28.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.05 -28.74 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -33.13 32.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -22.56 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.62 -13.83 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.6 tpt180 -82.74 -61.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -58.74 -24.12 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.95 -40.78 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 24' ' ' LEU . 20.9 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.37 86.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -58.38 -25.38 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.553 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.8 t80 -89.43 -14.62 35.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.2 -33.24 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -66.38 -39.51 89.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.0 -14.66 58.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.84 -10.95 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.46 -22.6 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -27.86 16.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.618 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -84.83 -31.92 23.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 24' ' ' LEU . 98.9 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.66 80.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -58.38 -21.59 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.04 -11.53 28.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.31 -29.06 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -32.96 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.28 34.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -13.32 39.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -87.67 -55.2 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.02 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -85.19 -45.58 11.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 24' ' ' LEU . 22.8 mm . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -21.66 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -94.9 -11.93 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CE2' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -100.12 -28.49 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -81.1 -33.68 33.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.03 -23.2 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.87 -13.6 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.88 -59.72 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -22.39 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.76 -42.31 18.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.3 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -47.78 83.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.41 -25.39 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.55 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 4.4 t80 -89.32 -14.83 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.16 -33.22 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.29 -39.3 89.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.17 -15.05 57.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.39 -10.54 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.51 -22.94 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.7 -24.58 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.75 -23.33 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.438 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 30.9 mm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD22 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 -47.99 74.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -25.36 61.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 4.4 t80 -89.48 -14.61 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.19 -33.27 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -39.56 89.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.96 -14.72 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.73 -10.91 59.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -94.33 -22.93 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.27 -27.55 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.616 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -85.77 -31.82 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 18.2 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.52 0.2 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 63.72 76.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -76.24 -49.07 3.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 50.18 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -72.49 157.3 89.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -168.44 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.7 47.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.27 -49.28 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.8 t0 172.87 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.45 158.07 0.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.59 -51.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -3.55 58.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -109.67 -23.48 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD22 ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -69.49 -22.84 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.32 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -94.84 -12.03 27.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' CE2' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -100.06 -28.62 12.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -33.28 33.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.71 34.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.86 -13.61 35.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -86.46 -55.66 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -22.54 65.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.428 ' CE2' ' CD1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -85.19 -45.83 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.563 HG22 ' CB1' ' A' ' 32' ' ' AIB . 25.5 mm -77.56 -16.99 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.3 t30 -54.31 -25.85 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.51 -15.73 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' O ' ' CB2' ' A' ' 32' ' ' AIB . . . -171.2 105.76 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.563 ' CB1' HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 117.703 -1.142 . . . . 0.0 108.133 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -123.24 -37.62 2.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.846 1.342 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -23.49 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.8 28.85 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -50.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.465 0.174 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -63.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -166.48 170.58 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 156.07 37.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.46 2.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 173.59 128.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.81 87.99 43.45 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.065 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.58 5.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.31 67.07 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.46 51.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 53.13 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.03 158.76 2.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 169.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.49 -51.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.12 -5.07 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -105.35 -24.9 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -46.95 85.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.56 85.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.35 -23.36 56.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -92.64 -12.78 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.63 -29.07 12.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -77.65 -35.15 52.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.09 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -14.99 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ASN . 2.8 mtm180 -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -21.73 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.0 -43.87 14.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.449 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.7 mm -79.51 -16.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -53.79 -20.86 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -92.62 23.0 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' CA ' ' HB2' ' A' ' 35' ' ' ARG . . . -103.4 -6.98 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.118 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' TYR . 9.1 mtp180 -146.77 -46.15 0.18 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.842 1.339 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.603 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -50.93 -22.13 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HB2' ' CA ' ' A' ' 31' ' ' ALA . 1.8 ttp85 -90.7 22.59 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -151.13 -50.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' CD2' ' OD1' ' A' ' 6' ' ' ASP . 9.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.534 0.207 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' LYS . 18.5 Cg_endo -74.95 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -67.79 70.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER 62.84 142.31 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.04 5.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' OD1' ' CD2' ' A' ' 1' ' ' TYR . 4.4 p30 -61.39 148.21 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -122.7 98.88 42.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.79 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.38 -61.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 68.3 72.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -153.46 99.99 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.16 155.15 4.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -13.63 21.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.43 80.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -81.04 -16.37 53.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.81 -28.34 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.01 -30.0 15.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.77 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.37 -21.48 50.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -95.14 -11.83 27.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -100.13 -28.89 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 -32.72 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.05 -22.59 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.1 -14.09 33.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -86.75 -57.43 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -21.12 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -46.24 11.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.582 ' CG2' ' CB1' ' A' ' 32' ' ' AIB . 19.2 mt -77.13 -18.87 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t30 -54.65 -21.59 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.78 -18.67 56.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.567 ' O ' ' CB2' ' A' ' 32' ' ' AIB . . . -169.95 100.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.582 ' CB1' ' CG2' ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.117 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 -123.51 -38.13 2.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.822 1.326 . . . . 0.0 110.309 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.78 -16.93 12.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -123.18 20.63 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 37.74 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.502 0.191 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.96 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -111.54 85.13 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.4 tttt 56.16 93.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 99.5 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.32 124.08 30.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 8' ' ' PRO . 1.1 t30 169.52 146.76 0.1 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 18.5 Cg_endo -74.98 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.23 53.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.84 72.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -141.03 -54.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.075 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.71 166.39 15.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -74.97 -168.79 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.62 26.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' PRO . 3.0 tp10 -120.58 -23.61 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -111.89 -33.3 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.17 -21.21 29.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.42 81.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -58.43 -21.75 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -94.66 -12.0 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.03 -28.71 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -33.24 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 -22.56 34.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.46 36.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.9 tpt180 -84.62 -56.45 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.606 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.85 18.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.538 HG22 ' CB1' ' A' ' 32' ' ' AIB . 16.9 mm -77.92 -13.76 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -52.87 -26.66 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.83 -17.96 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.77 99.8 0.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.538 ' CB1' HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.632 0 CA-C-O 117.765 -1.112 . . . . 0.0 108.156 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -124.57 -37.8 2.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 124.792 1.308 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -63.55 -21.88 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 28.54 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.64 -52.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.472 0.177 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -39.54 -57.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 ttpt 67.8 93.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.45 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t0 65.32 125.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 178.25 150.83 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -176.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.81 53.39 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -89.52 -58.98 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -100.56 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.75 69.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -21.42 15.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 52.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -135.05 -34.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -104.35 -29.25 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.86 73.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.16 88.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.85 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -91.95 -13.17 31.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.406 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.25 -28.79 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -77.63 -35.35 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -26.12 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.05 -15.12 63.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 29' ' ' ASN . 10.1 mtt180 -83.26 -60.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -23.21 48.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.559 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.92 -42.66 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.453 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.6 mm -82.98 -7.59 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.0 t-20 -56.41 -18.75 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.469 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -82.86 -15.77 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.476 ' O ' ' CB2' ' A' ' 32' ' ' AIB . . . -136.54 113.28 10.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.476 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 117.736 -1.126 . . . . 0.0 108.112 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -122.79 -37.29 2.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.813 1.321 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.82 -34.68 78.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 29.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.45 -52.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.453 0.168 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 53.51 174.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.52 157.73 69.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -59.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.2 170.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -40.46 100.71 0.22 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.77 -45.34 0.55 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 69.73 65.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.24 -50.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 71.22 67.62 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.239 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.89 16.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.46 -13.44 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.33 -20.56 47.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' O ' ' CZ ' ' A' ' 20' ' ' TYR . 3.3 m-20 -88.35 -54.41 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.588 ' HA ' ' CD2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -56.61 -29.92 62.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.35 -56.76 15.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 11.2 mmt180 -58.28 -23.55 56.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -100.45 14.31 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -129.52 -42.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -26.74 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.28 -13.15 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -74.76 -14.87 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.71 -56.03 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -26.59 68.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -80.25 -38.65 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.5 mm -85.94 -4.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -59.8 -23.83 63.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -89.21 -17.19 29.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.541 ' HB3' ' CB ' ' A' ' 35' ' ' ARG . . . -97.26 37.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.556 ' CB1' ' CZ ' ' A' ' 33' ' ' ARG . . . . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 117.728 -1.129 . . . . 0.0 108.134 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' CZ ' ' CB1' ' A' ' 32' ' ' AIB . 5.2 mmp_? -118.76 -37.96 3.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.837 1.336 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -11.89 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -137.34 14.14 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 58.84 148.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.561 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.557 0.218 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 1' ' ' TYR . 18.2 Cg_endo -75.1 -174.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 63.58 151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.16 155.25 42.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -74.96 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 2.0 m-20 76.66 118.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 m-20 -56.23 -51.91 77.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -74.94 155.81 43.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.49 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.86 -56.02 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.85 163.28 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.45 75.93 0.83 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.43 12.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -31.43 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -82.31 -13.14 57.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -79.01 -38.85 35.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.28 -44.56 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.28 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -58.32 -25.4 61.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.552 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.7 t80 -89.45 -14.66 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -33.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -66.34 -39.54 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.35 -10.78 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -94.45 -23.27 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -25.77 17.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.5 -29.25 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 19.1 mm -82.5 -8.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.0 -19.68 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.69 -19.3 59.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' O ' ' CG2' ' A' ' 28' ' ' ILE . . . -154.6 116.33 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.45 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.124 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -122.15 -37.22 2.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.834 1.334 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -19.32 34.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 20.75 11.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 37.77 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.475 0.178 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -80.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.803 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' CA ' ' HE2' ' A' ' 4' ' ' LYS . 48.4 t 61.52 110.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' HE2' ' CA ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -124.22 160.29 53.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -58.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 163.59 -35.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -122.23 163.06 34.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -33.02 4.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.791 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.99 66.69 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -130.1 -44.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.47 171.38 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.85 154.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -171.66 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.53 26.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -120.55 -23.47 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -111.39 -33.54 6.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -41.02 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 -45.29 89.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -23.19 56.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -93.0 -12.68 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -34.18 10.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -37.85 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.77 -12.01 60.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -73.38 -17.89 61.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -75.69 -25.99 57.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -99.29 -22.9 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -88.03 -15.38 36.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.508 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 3.6 mm -90.75 -13.25 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.42 -20.12 6.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.17 -22.84 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' O ' ' CB1' ' A' ' 32' ' ' AIB . . . -79.49 -96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.507 ' CB1' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -129.96 -44.17 1.19 Allowed 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 124.897 1.373 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -20.21 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -117.42 18.33 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' ARG . 5.1 m-85 37.41 84.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.521 0.2 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.46 2.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.71 162.33 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 90.11 25.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -105.1 135.12 47.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -148.92 131.64 7.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.48 -68.32 0.5 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.03 -54.0 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 0.804 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.9 150.93 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.59 86.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -81.56 -16.29 52.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -45.81 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -48.43 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.62 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.95 -11.81 27.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.14 -28.74 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 -33.16 33.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -22.74 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.8 -13.77 37.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.76 -58.54 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -62.72 -24.53 67.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CE2' HD13 ' A' ' 28' ' ' ILE . 2.9 t80 -81.14 -37.42 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 27' ' ' TYR . 24.6 mm -84.65 -6.46 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.91 -28.78 64.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.01 -16.84 57.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.58 ' CB ' ' HB2' ' A' ' 35' ' ' ARG . . . -86.2 60.74 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.513 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.696 -1.145 . . . . 0.0 108.136 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 36' ' ' TYR . 6.4 mmm-85 -130.61 -42.85 1.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 124.883 1.365 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -20.95 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.58 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -87.36 16.74 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 6.8 m-85 -160.85 -59.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.412 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 5.3 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.473 0.177 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 1' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.94 157.65 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.71 158.01 43.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -44.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.17 90.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -147.64 156.62 45.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 61.15 5.59 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.19 -58.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -43.66 -46.42 7.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -44.47 149.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.62 162.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -11.86 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.36 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.39 -15.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -88.25 -48.15 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -24.21 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.29 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -58.42 -21.72 51.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.401 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.5 t80 -94.78 -11.93 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.04 -28.62 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -81.36 -33.3 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.77 35.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.52 -13.86 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' N ' HD11 ' A' ' 24' ' ' LEU . 6.1 tpt180 -82.7 -61.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -24.37 57.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.97 -40.82 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.5 mm -84.19 -6.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -60.41 -15.84 30.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -101.34 -17.28 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.642 ' CB ' ' HB2' ' A' ' 35' ' ' ARG . . . -93.78 52.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.49 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.737 -1.125 . . . . 0.0 108.188 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.2 mtp180 -141.69 -46.12 0.36 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.826 1.329 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -23.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.642 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.33 27.7 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -162.81 -54.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.506 0.193 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 171.45 18.29 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -41.85 128.49 3.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -75.37 -48.45 4.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.1 Cg_endo -75.04 -21.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 166.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.7 t30 41.47 87.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.93 24.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.93 64.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -104.71 59.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 43.46 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.13 73.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -9.92 20.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -73.22 -21.11 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.09 -21.85 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -33.82 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -17.49 47.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -71.45 -49.11 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -58.39 -21.6 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -94.98 -11.94 27.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -99.96 -28.85 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t -81.18 -33.23 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.82 34.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.54 -13.82 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.3 tpt180 -82.34 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -24.87 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.74 -40.28 22.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' CD2' ' A' ' 24' ' ' LEU . 32.0 mm -85.34 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ARG . 18.0 t30 -60.17 -16.15 30.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -99.75 -17.29 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 34' ' ' GLN . . . -112.66 31.21 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.575 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.16 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -39.59 5.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.821 1.326 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 1.7 mt-30 -50.85 -42.66 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -92.51 23.79 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 52.58 57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.466 0.174 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 95.08 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.98 86.6 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -141.85 154.79 65.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.57 91.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -131.12 92.22 33.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.54 58.02 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -136.24 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 178.38 161.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.11 158.29 58.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.95 169.38 22.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 84.05 -50.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.67 -8.66 59.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.91 -27.97 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -21.46 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.1 77.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -58.33 -21.23 48.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -95.28 -12.0 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.19 -28.75 12.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -32.97 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.73 34.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.547 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.0 -13.51 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' N ' HD11 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.52 -59.24 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -23.62 62.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -83.25 -41.69 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 mm -83.11 -7.43 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ARG . 47.5 t-20 -59.98 -16.42 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.95 -17.76 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.86 49.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.107 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -48.14 -42.73 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 124.857 1.348 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -40.45 -38.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.24 30.08 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 53.47 105.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.568 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.483 0.182 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.17 39.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m -97.79 160.59 14.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -162.84 93.72 1.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.66 20.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.94 140.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 t-20 -68.01 -51.94 25.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -75.0 -173.34 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.99 64.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.75 -59.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -155.1 121.88 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.99 156.13 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.61 21.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.9 73.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.84 -17.8 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.48 -49.85 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.42 -24.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.62 80.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -58.39 -21.37 50.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.23 -11.73 27.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.2 -28.86 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -32.97 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.82 -22.26 34.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.9 -13.65 36.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.37 -58.57 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -22.6 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -43.78 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.2 mm -78.17 -15.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -57.35 -18.18 15.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -91.42 5.04 50.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' O ' ' CB2' ' A' ' 32' ' ' AIB . . . -93.41 42.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.465 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.158 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.78 -42.22 2.42 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.84 1.338 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -56.54 -42.02 77.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.12 26.62 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 51.29 101.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.477 0.18 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -66.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -165.83 76.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -68.8 142.32 93.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -163.77 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.77 135.95 54.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -67.5 113.1 12.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -53.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 57.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.43 62.3 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 139.16 53.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.47 159.37 2.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 162.5 36.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.65 -51.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -5.39 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -104.13 -24.16 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -17.89 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.42 78.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -58.38 -21.69 51.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -94.97 -11.96 27.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.87 -28.57 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -34.15 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.42 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.7 -14.28 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.42 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -61.18 -20.37 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' CD2' HG12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -88.08 -42.19 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 27' ' ' TYR . 34.8 mm -83.08 -7.01 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -55.56 -19.52 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -78.81 -18.61 53.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.64 61.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.137 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -73.15 -46.81 48.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.802 1.313 . . . . 0.0 110.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -44.21 -50.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -95.01 29.93 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 61.63 108.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.544 0.212 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.38 -70.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.8 157.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.88 159.89 44.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 172.95 160.68 0.28 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.88 39.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.76 -69.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 39.25 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.37 94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.14 154.89 6.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.83 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -82.44 -16.56 48.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -88.36 -24.87 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.58 -23.77 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.97 77.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -21.4 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.16 -11.83 27.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -28.78 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -33.17 32.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -22.84 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.32 -13.9 33.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -83.16 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -56.56 -24.27 45.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.621 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -82.91 -41.24 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 24' ' ' LEU . 34.3 mm -84.93 -5.09 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 30' ' ' LEU . 29.0 p-10 -59.28 -21.2 59.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -90.19 -17.79 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.08 51.98 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.502 ' O ' ' CE2' ' A' ' 36' ' ' TYR . . . . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.086 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -48.35 -41.72 29.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 124.809 1.318 . . . . 0.0 110.281 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -56.03 -17.87 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -89.0 18.61 4.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 35' ' ' ARG . 6.5 m-85 -160.4 -49.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.519 0.2 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.28 75.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.84 154.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.8 30.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.07 141.0 48.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.78 146.1 82.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.07 26.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.27 68.07 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.35 69.96 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -72.64 148.93 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 169.82 161.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 167.6 26.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.86 -51.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -85.27 -6.1 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.97 -25.45 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.21 -46.8 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.79 84.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.63 57.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -92.33 -12.73 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.44 -28.87 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -35.3 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.86 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.98 -15.23 62.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ASN . 14.4 mtt-85 -82.61 -63.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -22.92 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.76 -43.02 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 HG13 ' CD2' ' A' ' 24' ' ' LEU . 25.8 mm -82.37 -8.24 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 5.1 t-20 -58.85 -16.98 19.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -91.38 -16.3 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.2 50.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 117.743 -1.123 . . . . 0.0 108.142 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -47.72 -45.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 124.856 1.348 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 7.6 tp60 -76.67 151.16 36.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 77.0 27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.344 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 56.26 106.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.51 4.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -109.42 117.39 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER 68.63 93.52 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' ASN . 14.7 p-10 -122.55 148.66 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.1 m120 -40.46 100.74 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.29 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.61 -44.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.95 56.49 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -134.63 -56.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 177.56 154.31 0.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.05 170.9 19.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.7 -51.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -86.32 -4.99 59.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -105.73 -24.26 12.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.04 -38.5 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.98 75.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -58.36 -22.11 52.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.3 t80 -94.38 -11.96 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.61 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -81.25 -33.21 32.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.53 -22.95 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.5 -13.8 34.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.06 -60.32 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.38 -22.28 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.46 -41.85 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.2 mm -78.45 -17.27 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -55.04 -20.64 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.75 15.47 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.553 ' HB1' ' CD ' ' A' ' 35' ' ' ARG . . . -94.61 17.39 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.113 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -39.22 3.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.869 1.356 . . . . 0.0 110.252 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.86 -44.87 91.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' CD ' ' HB1' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -93.98 30.39 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.81 -51.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.454 0.169 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 p -142.81 170.73 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 155.7 40.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 125.78 9.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.454 1.765 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 10.2 t0 62.07 118.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 m-20 162.73 -51.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -74.99 -177.41 3.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.11 58.96 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -133.58 80.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.56 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.84 84.08 63.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.97 -179.93 5.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.89 -50.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -7.81 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.71 -25.54 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -24.14 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.07 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.43 -23.57 57.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.34 -12.9 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.39 -28.8 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -35.31 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.95 -15.16 62.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 29' ' ' ASN . 0.2 OUTLIER -84.94 -59.8 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -21.82 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE2' HD11 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -84.89 -45.23 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 HG13 ' CD2' ' A' ' 24' ' ' LEU . 35.4 mm -79.24 -11.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' ARG . 5.7 t30 -49.49 -38.7 31.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -53.22 -20.93 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.531 ' O ' ' CB1' ' A' ' 32' ' ' AIB . . . -79.75 -139.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.531 ' CB1' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 117.758 -1.115 . . . . 0.0 108.137 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.25 -46.05 15.36 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.82 1.325 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -48.54 -42.41 33.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -94.6 21.48 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 56.83 108.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.186 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.546 ' HB2' ' CE1' ' A' ' 1' ' ' TYR . 6.3 m 39.86 80.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.82 113.52 18.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.09 2.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.43 126.47 33.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 52.4 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.65 59.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.23 -55.17 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -135.05 103.75 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.93 156.78 1.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.62 -51.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.23 -5.1 59.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -105.06 -22.33 13.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.07 -36.6 9.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -64.67 -48.02 76.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -24.05 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.74 -13.11 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.27 -28.82 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -35.36 53.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -25.3 38.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -68.45 -14.99 63.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 29' ' ' ASN . 23.0 mtp180 -83.47 -60.18 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -23.43 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.447 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.1 mm -83.32 -7.41 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' ARG . 16.6 t30 -59.12 -16.74 21.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -94.6 -17.36 22.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.44 54.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.087 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -49.56 -25.33 2.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 124.793 1.308 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -20.84 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' TYR . 13.6 mtt85 -91.77 20.98 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 35' ' ' ARG . 3.1 m-85 -159.22 -59.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.489 0.185 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.22 4.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 t -147.05 -58.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.56 89.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.98 5.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 59.78 158.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.63 132.64 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.67 4.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.49 -58.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 67.02 57.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 179.04 87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.71 157.8 1.86 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.01 -169.72 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.58 26.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 13' ' ' PRO . 5.9 tt0 -120.56 -23.6 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.71 -33.46 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.35 -14.63 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.83 -48.59 63.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -58.39 -21.15 49.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -95.5 -11.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.5 13.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -33.37 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.39 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.93 -13.67 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -84.57 -58.92 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.74 -23.31 63.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.581 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.88 -42.74 17.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.7 mm -79.17 -17.55 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -52.47 -26.08 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -13.69 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.25 -97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 117.745 -1.122 . . . . 0.0 108.146 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.39 -50.33 0.12 Allowed 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 124.834 1.334 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -89.71 -22.25 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 32.72 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.03 -49.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.533 0.206 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.27 21.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.94 -164.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -129.31 161.17 60.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 86.92 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.01 138.84 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -130.96 82.67 63.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -63.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.89 -60.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 53.7 65.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 54.97 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . -37.71 98.29 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' N ' ' O ' ' A' ' 11' ' ' ASP . 18.2 Cg_endo -74.96 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 176.07 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.85 -16.21 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 -45.0 12.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -15.69 47.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -58.41 -21.84 52.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -94.63 -12.03 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.92 -28.11 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -34.45 32.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.43 -23.09 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.82 -13.72 36.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' N ' HD11 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -84.45 -59.92 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -23.42 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.651 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.5 -41.99 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.3 mm -82.95 -7.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' ARG . 34.5 t-20 -59.97 -16.24 28.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -98.2 -17.26 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -111.9 54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.448 ' O ' ' N ' ' A' ' 34' ' ' GLN . . . . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 117.758 -1.115 . . . . 0.0 108.107 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' AIB . 0.0 OUTLIER -37.87 -31.29 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 124.779 1.299 . . . . 0.0 110.256 -179.907 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' AIB . 8.9 mm-40 -41.43 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.592 ' C ' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -117.67 17.72 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 35' ' ' ARG . 3.8 m-85 -160.52 75.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.472 0.177 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p 177.93 46.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -128.15 79.94 73.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 147.64 34.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.1 173.01 11.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -91.51 146.82 34.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.06 21.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.7 71.08 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -143.96 90.62 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 0.797 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.92 109.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.13 164.44 2.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.41 21.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.58 -15.87 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.56 -26.0 45.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -46.75 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -12.48 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.8 74.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -58.44 -23.85 58.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.97 -13.01 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.44 -28.71 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -77.71 -35.34 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.27 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.93 -15.06 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ASN . 26.8 mtt85 -83.39 -60.6 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -23.2 50.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -83.84 -42.62 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 25.7 mm -82.64 -8.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 35.6 t30 -57.0 -23.71 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -80.21 -16.45 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.501 ' O ' ' CB2' ' A' ' 32' ' ' AIB . . . -87.03 63.14 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.501 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 117.722 -1.132 . . . . 0.0 108.099 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.2 mmm180 -125.12 -40.44 2.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 124.837 1.336 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.77 -21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -88.07 18.82 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 5.2 m-85 -160.34 -55.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.491 0.186 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -62.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 37.3 t -174.67 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 5.8 tttp 165.12 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.2 Cg_endo -75.0 83.95 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -177.08 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 41.85 88.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.59 57.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.02 70.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' PRO . 1.8 m-20 -89.68 128.87 36.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . -37.66 98.31 0.16 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.449 ' N ' ' O ' ' A' ' 11' ' ' ASP . 18.3 Cg_endo -75.03 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 176.09 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.25 -15.76 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 5.0 m-20 -94.71 -29.46 14.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -36.68 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.86 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 16' ' ' ASP . 9.4 ptp180 -58.37 -24.35 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -91.44 -13.3 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.409 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.94 -29.04 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 -35.54 53.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.65 -24.2 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -69.87 -15.06 63.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 29' ' ' ASN . 9.5 mmt85 -83.49 -59.83 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -23.07 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -42.92 16.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG13 ' CD2' ' A' ' 24' ' ' LEU . 22.8 mm -81.65 -9.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' ARG . 49.5 t30 -56.38 -18.81 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -17.45 37.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' O ' ' CB2' ' A' ' 32' ' ' AIB . . . -139.65 79.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.44 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 117.723 -1.132 . . . . 0.0 108.158 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -159.92 -45.3 0.05 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 124.84 1.337 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -51.38 -21.52 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 2.8 ttp85 -91.01 20.97 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 3.7 m-85 -158.81 -59.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.507 0.194 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 177.6 8.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.42 -60.33 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -51.75 143.15 22.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -80.47 143.97 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.6 t30 -75.05 -51.76 3.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.5 Cg_endo -74.97 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.7 -45.17 0.19 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -55.98 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -95.63 63.52 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -172.72 72.84 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 100.98 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . 176.33 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.44 -17.52 56.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.86 -33.25 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.22 -19.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -49.53 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -58.41 -21.18 49.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.45 -11.8 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.37 -28.84 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -81.14 -32.76 33.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -22.89 33.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.42 36.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' N ' HD11 ' A' ' 24' ' ' LEU . 5.4 ttt85 -85.49 -59.33 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -58.78 -22.78 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -83.67 -43.84 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.3 mm -77.7 -19.79 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t-20 -53.84 -21.83 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.58 -14.6 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.49 -97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 117.727 -1.13 . . . . 0.0 108.117 179.949 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -122.82 -44.98 2.18 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.817 1.323 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -41.11 69.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.81 29.6 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 54.27 106.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.37 14.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.71 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.65 156.5 32.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -168.01 111.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -148.59 89.83 4.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -57.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.49 57.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.1 67.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.45 97.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.27 162.24 36.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.95 167.89 26.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.64 -51.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -85.45 -5.86 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -102.82 -24.86 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -15.83 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.45 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -21.76 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -94.7 -11.98 28.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.05 -28.74 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -33.13 32.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -22.56 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.62 -13.83 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.6 tpt180 -82.74 -61.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -58.74 -24.12 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.95 -40.78 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 HG13 ' CD2' ' A' ' 24' ' ' LEU . 20.9 mm -83.23 -8.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -54.62 -30.57 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.04 -16.08 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.599 ' CB ' ' HB2' ' A' ' 35' ' ' ARG . . . -88.46 60.8 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.482 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.749 -1.119 . . . . 0.0 108.091 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' TYR . 3.5 mmm-85 -134.54 -44.93 0.75 Allowed 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 124.837 1.336 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -46.72 -24.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.599 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.27 31.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -154.26 -56.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . 0.426 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.48 0.181 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -171.26 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -77.84 159.97 28.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.05 88.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.52 2.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.33 -56.73 17.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -127.44 97.66 30.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.22 67.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.8 -59.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -146.54 143.86 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.1 84.97 2.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -13.25 21.56 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.91 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.33 -10.8 58.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -86.45 -43.64 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -52.74 7.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.37 86.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -58.38 -25.38 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.553 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 3.8 t80 -89.43 -14.62 35.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.2 -33.24 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -66.38 -39.51 89.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.0 -14.66 58.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.84 -10.95 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.46 -22.6 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -27.86 16.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.618 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -84.83 -31.92 23.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 24' ' ' LEU . 98.9 mt -79.5 -13.15 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.59 -18.6 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.5 mt -95.82 -21.03 18.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.503 ' O ' ' CB1' ' A' ' 32' ' ' AIB . . . -85.31 -97.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.503 ' CB1' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 117.709 -1.139 . . . . 0.0 108.11 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -119.09 -56.67 2.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 124.846 1.341 . . . . 0.0 110.298 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -38.75 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' C ' ' A' ' 36' ' ' TYR . 12.9 mtt180 -113.46 58.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.588 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -24.63 102.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.574 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.543 0.211 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.19 27.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -154.6 84.58 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mttt 56.6 88.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.54 -55.48 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 62.58 132.67 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 78.16 2.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -131.31 -71.32 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 37.5 90.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 174.8 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.65 157.41 1.47 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -13.38 21.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.8 77.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.69 -16.97 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.69 -47.59 10.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -26.83 66.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.66 80.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -58.38 -21.59 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.04 -11.53 28.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.31 -29.06 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -32.96 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.28 34.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -13.32 39.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -87.67 -55.2 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.02 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -85.19 -45.58 11.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.458 HG13 ' CD2' ' A' ' 24' ' ' LEU . 22.8 mm -74.64 -17.51 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -53.21 -20.61 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.87 -23.95 19.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.651 ' CB ' ' HB2' ' A' ' 35' ' ' ARG . . . -106.91 50.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.767 -1.111 . . . . 0.0 108.149 -179.996 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' TYR . 10.3 mtp85 -141.1 -45.57 0.38 Allowed 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 124.846 1.341 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.77 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.651 ' HB2' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.07 30.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -152.16 -56.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . 0.448 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.51 0.195 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.4 40.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -152.18 -61.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 5' ' ' PRO . 14.4 tptt 71.29 118.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.43 ' N ' ' HD2' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -74.98 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.91 145.8 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.505 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -74.55 -51.84 4.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.2 Cg_endo -75.01 128.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.768 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 10' ' ' GLU . . . 158.22 -32.39 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 69.92 -57.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -175.17 -83.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.48 154.86 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.04 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.57 26.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -120.58 -23.76 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.12 -33.54 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD22 ' CE2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -56.77 -32.33 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -21.66 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -94.9 -11.93 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CE2' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -100.12 -28.49 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -81.1 -33.68 33.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.03 -23.2 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.87 -13.6 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.88 -59.72 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -22.39 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.76 -42.31 18.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.3 mm -78.94 -19.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -55.41 -20.92 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.44 14.73 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -85.6 -7.79 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.404 ' C ' ' N ' ' A' ' 34' ' ' GLN . . . . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 117.774 -1.108 . . . . 0.0 108.094 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -43.32 -27.5 0.26 Allowed 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 124.769 1.293 . . . . 0.0 110.286 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 3.9 tt0 -48.46 -62.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.19 9.77 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 55.54 105.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.552 0.215 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.15 -71.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -141.81 88.63 9.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.69 29.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t70 177.24 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -157.88 98.3 1.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.24 64.07 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -50.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -55.16 13.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.23 91.98 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.34 21.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.79 -34.7 78.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.65 -16.52 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -85.84 -48.69 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -29.38 70.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -47.78 83.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.41 -25.39 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 4.4 t80 -89.32 -14.83 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.16 -33.22 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.29 -39.3 89.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.17 -15.05 57.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.39 -10.54 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.51 -22.94 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.7 -24.58 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.75 -23.33 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.438 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 30.9 mm -88.44 -10.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 16.8 t-20 -54.18 -34.0 59.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.67 -15.52 63.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.642 ' HB2' ' CG ' ' A' ' 35' ' ' ARG . . . -84.99 54.62 3.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . 0.429 ' CB2' ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.158 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.3 mmm-85 -132.9 -44.82 0.87 Allowed 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 124.828 1.33 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -24.79 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.642 ' CG ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.01 32.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CG ' ' N ' ' A' ' 37' ' ' NH2 . 0.1 OUTLIER -160.3 -56.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . 0.447 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.493 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.519 0.2 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 3' ' ' SER . 18.2 Cg_endo -75.07 138.28 22.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER 82.16 -64.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -90.78 156.72 44.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.77 5.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.493 ' HB3' ' CD2' ' A' ' 1' ' ' TYR . 25.0 p30 -115.54 176.16 5.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -58.76 161.8 7.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.68 9.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.32 69.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.07 -55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 48.37 94.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 174.06 165.43 0.32 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . 83.75 -51.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.58 -25.7 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD22 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -92.12 -18.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 -47.99 74.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -25.36 61.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.555 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 4.4 t80 -89.48 -14.61 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD2' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.19 -33.27 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -39.56 89.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.96 -14.72 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.555 ' CD2' ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.73 -10.91 59.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -94.33 -22.93 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.27 -27.55 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.616 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -85.77 -31.82 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 18.2 mm -80.35 -11.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.73 -19.27 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -86.9 -19.49 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.542 ' N ' ' CD1' ' A' ' 30' ' ' LEU . . . -108.5 140.32 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 117.754 -1.117 . . . . 0.0 108.125 179.964 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -39.38 5.36 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 124.807 1.317 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -51.96 -41.59 62.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -99.52 26.75 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 43.92 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.32 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -94.84 -12.03 27.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.06 -28.62 12.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -33.28 33.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.71 34.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.86 -13.61 35.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.774 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -86.46 -55.66 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -22.54 65.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -85.19 -45.83 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 27' ' ' TYR . 25.5 mm . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.56 85.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.35 -23.36 56.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -92.64 -12.78 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.63 -29.07 12.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -77.65 -35.15 52.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.09 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -14.99 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 mtm180 -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -21.73 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.0 -43.87 14.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.49 ' CG1' HD22 ' A' ' 24' ' ' LEU . 24.7 mm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.77 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.37 -21.48 50.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -95.14 -11.83 27.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.9 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -100.13 -28.89 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 -32.72 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.05 -22.59 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.1 -14.09 33.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.793 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -86.75 -57.43 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -21.12 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -46.24 11.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.894 HD12 ' CD2' ' A' ' 24' ' ' LEU . 19.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' CD1' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.42 81.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -58.43 -21.75 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -94.66 -12.0 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.866 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.03 -28.71 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -33.24 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 -22.56 34.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.988 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.46 36.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.9 tpt180 -84.62 -56.45 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.606 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.85 18.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.16 88.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.85 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -91.95 -13.17 31.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.25 -28.79 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -77.63 -35.35 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -26.12 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.05 -15.12 63.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.672 ' N ' HD13 ' A' ' 24' ' ' LEU . 10.1 mtt180 -83.26 -60.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -23.21 48.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.559 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.92 -42.66 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.6 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.35 -56.76 15.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 11.2 mmt180 -58.28 -23.55 56.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -100.45 14.31 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CE1' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -129.52 -42.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -26.74 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -101.28 -13.15 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -74.76 -14.87 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.755 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -81.71 -56.03 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -26.59 68.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -80.25 -38.65 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 27.5 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.28 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -58.32 -25.4 61.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 t80 -89.45 -14.66 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -33.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -66.34 -39.54 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.35 -10.78 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -94.45 -23.27 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -25.77 17.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.5 -29.25 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 19.1 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 -45.29 89.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -23.19 56.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -93.0 -12.68 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -34.18 10.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -37.85 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.77 -12.01 60.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -73.38 -17.89 61.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -75.69 -25.99 57.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -99.29 -22.9 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -88.03 -15.38 36.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.552 HG13 HD23 ' A' ' 24' ' ' LEU . 3.6 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.62 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.95 -11.81 27.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.14 -28.74 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 -33.16 33.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -22.74 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.987 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.8 -13.77 37.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.782 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.76 -58.54 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -62.72 -24.53 67.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CD2' HG12 ' A' ' 28' ' ' ILE . 2.9 t80 -81.14 -37.42 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.6 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.29 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -58.42 -21.72 51.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.5 t80 -94.78 -11.93 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.04 -28.62 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -81.36 -33.3 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.77 35.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.52 -13.86 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.78 ' N ' HD13 ' A' ' 24' ' ' LEU . 6.1 tpt180 -82.7 -61.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -24.37 57.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.97 -40.82 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.5 mm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.45 -49.11 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -58.39 -21.6 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -94.98 -11.94 27.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -99.96 -28.85 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t -81.18 -33.23 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.82 34.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.54 -13.82 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.3 tpt180 -82.34 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -24.87 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.74 -40.28 22.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' CD2' ' A' ' 24' ' ' LEU . 32.0 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.1 77.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -58.33 -21.23 48.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -95.28 -12.0 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.19 -28.75 12.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -32.97 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.73 34.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.0 -13.51 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.771 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.52 -59.24 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -23.62 62.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -83.25 -41.69 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 28' ' ' ILE . 34.0 mm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.62 80.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -58.39 -21.37 50.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.23 -11.73 27.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.894 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.2 -28.86 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -32.97 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.82 -22.26 34.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.003 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.9 -13.65 36.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.37 -58.57 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -22.6 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -43.78 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.2 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.42 78.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -58.38 -21.69 51.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -94.97 -11.96 27.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.862 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.87 -28.57 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -34.15 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.42 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.7 -14.28 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.42 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -20.37 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -88.08 -42.19 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 27' ' ' TYR . 34.8 mm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.97 77.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -21.4 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.16 -11.83 27.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.882 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -28.78 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -33.17 32.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -22.84 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.32 -13.9 33.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -83.16 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -56.56 -24.27 45.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.621 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -82.91 -41.24 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 24' ' ' LEU . 34.3 mm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.79 84.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.63 57.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -92.33 -12.73 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.44 -28.87 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -35.3 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.86 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.98 -15.23 62.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.699 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.4 mtt-85 -82.61 -63.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -22.92 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.76 -43.02 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.504 ' CG1' HD22 ' A' ' 24' ' ' LEU . 25.8 mm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.98 75.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -58.36 -22.11 52.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.3 t80 -94.38 -11.96 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.61 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -81.25 -33.21 32.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.53 -22.95 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.5 -13.8 34.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.06 -60.32 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.38 -22.28 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.46 -41.85 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.2 mm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.07 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.43 -23.57 57.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.34 -12.9 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.579 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.39 -28.8 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -35.31 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.95 -15.16 62.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.94 -59.8 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -21.82 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -45.23 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG1' HD22 ' A' ' 24' ' ' LEU . 35.4 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -48.02 76.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -24.05 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.3 t80 -91.74 -13.11 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.27 -28.82 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -35.36 53.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -25.3 38.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.985 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -68.45 -14.99 63.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.66 ' N ' HD13 ' A' ' 24' ' ' LEU . 23.0 mtp180 -83.47 -60.18 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -23.43 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.499 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.1 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.83 -48.59 63.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -58.39 -21.15 49.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -95.5 -11.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.5 13.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -33.37 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.39 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.93 -13.67 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.777 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -84.57 -58.92 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.74 -23.31 63.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.581 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.88 -42.74 17.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' ILE . 27.7 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -58.41 -21.84 52.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -94.63 -12.03 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.859 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.92 -28.11 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -34.45 32.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.43 -23.09 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.82 -13.72 36.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -84.45 -59.92 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -23.42 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.651 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.5 -41.99 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.945 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.8 74.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -58.44 -23.85 58.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.97 -13.01 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.44 -28.71 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -77.71 -35.34 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.27 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.93 -15.06 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.665 ' N ' HD13 ' A' ' 24' ' ' LEU . 26.8 mtt85 -83.39 -60.6 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -23.2 50.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -83.84 -42.62 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CG1' HD22 ' A' ' 24' ' ' LEU . 25.7 mm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.86 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -58.37 -24.35 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.1 t80 -91.44 -13.3 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.498 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.94 -29.04 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 -35.54 53.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.65 -24.2 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -69.87 -15.06 63.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.5 mmt85 -83.49 -59.83 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -23.07 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -42.92 16.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 22.8 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.53 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -58.41 -21.18 49.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.45 -11.8 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.858 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.37 -28.84 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -81.14 -32.76 33.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -22.89 33.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.42 36.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.765 ' N ' HD13 ' A' ' 24' ' ' LEU . 5.4 ttt85 -85.49 -59.33 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -58.78 -22.78 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -83.67 -43.84 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 28' ' ' ILE . 31.3 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.45 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -21.76 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -94.7 -11.98 28.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.88 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.05 -28.74 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -33.13 32.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -22.56 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.62 -13.83 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.6 tpt180 -82.74 -61.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -58.74 -24.12 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.95 -40.78 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 20.9 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.37 86.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -58.38 -25.38 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.682 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.8 t80 -89.43 -14.62 35.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.2 -33.24 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -66.38 -39.51 89.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.0 -14.66 58.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.84 -10.95 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.46 -22.6 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -27.86 16.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.618 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -84.83 -31.92 23.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' LEU . 98.9 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.66 80.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -58.38 -21.59 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.04 -11.53 28.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.873 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.31 -29.06 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -32.96 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.28 34.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -13.32 39.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -87.67 -55.2 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.02 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -85.19 -45.58 11.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.49 HG13 HD22 ' A' ' 24' ' ' LEU . 22.8 mm . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -21.66 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -94.9 -11.93 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.12 -28.49 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -81.1 -33.68 33.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.03 -23.2 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.87 -13.6 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.768 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.88 -59.72 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -22.39 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.76 -42.31 18.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.3 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -47.78 83.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.41 -25.39 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.669 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.32 -14.83 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.16 -33.22 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.29 -39.3 89.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.17 -15.05 57.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.39 -10.54 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.51 -22.94 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.7 -24.58 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.75 -23.33 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.438 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 30.9 mm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 -47.99 74.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -25.36 61.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.48 -14.61 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' CD2' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.19 -33.27 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -39.56 89.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.96 -14.72 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.73 -10.91 59.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -94.33 -22.93 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.27 -27.55 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.616 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -85.77 -31.82 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 18.2 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.52 0.2 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 63.72 76.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -76.24 -49.07 3.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 50.18 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -72.49 157.3 89.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -168.44 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.7 47.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.27 -49.28 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.8 t0 172.87 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 178.45 158.07 0.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.687 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.59 -51.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -3.55 58.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -109.67 -23.48 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -69.49 -22.84 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.32 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -94.84 -12.03 27.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.06 -28.62 12.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -33.28 33.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.71 34.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.86 -13.61 35.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.774 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -86.46 -55.66 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -22.54 65.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -85.19 -45.83 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.089 HG22 HB12 ' A' ' 32' ' ' AIB . 25.5 mm -77.56 -16.99 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.3 t30 -54.31 -25.85 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.51 -15.73 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.67 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -171.2 105.76 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 1.089 HB12 HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 117.703 -1.142 . . . . 0.0 108.133 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -123.24 -37.62 2.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.846 1.342 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -23.49 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.8 28.85 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -50.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.578 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.465 0.174 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -63.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -166.48 170.58 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 156.07 37.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.46 2.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 173.59 128.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -131.81 87.99 43.45 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.065 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.58 5.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.31 67.07 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.46 51.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 53.13 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.03 158.76 2.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 169.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.49 -51.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.12 -5.07 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -105.35 -24.9 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -58.34 -46.95 85.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.56 85.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.35 -23.36 56.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -92.64 -12.78 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.63 -29.07 12.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -77.65 -35.15 52.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.09 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -14.99 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 mtm180 -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -21.73 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.0 -43.87 14.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.49 ' CG1' HD22 ' A' ' 24' ' ' LEU . 24.7 mm -79.51 -16.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -53.79 -20.86 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.729 HD12 ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -92.62 23.0 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' CA ' ' HB2' ' A' ' 35' ' ' ARG . . . -103.4 -6.98 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.118 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' TYR . 9.1 mtp180 -146.77 -46.15 0.18 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.842 1.339 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.729 ' CB ' HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -50.93 -22.13 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HB2' ' CA ' ' A' ' 31' ' ' ALA . 1.8 ttp85 -90.7 22.59 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -151.13 -50.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' CD2' ' OD1' ' A' ' 6' ' ' ASP . 9.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.534 0.207 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' LYS . 18.5 Cg_endo -74.95 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -67.79 70.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER 62.84 142.31 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.04 5.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' OD1' ' CD2' ' A' ' 1' ' ' TYR . 4.4 p30 -61.39 148.21 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -122.7 98.88 42.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.79 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.38 -61.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 68.3 72.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -153.46 99.99 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.16 155.15 4.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -13.63 21.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -63.74 -35.43 80.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -81.04 -16.37 53.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.81 -28.34 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.01 -30.0 15.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -55.63 -49.77 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.37 -21.48 50.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -95.14 -11.83 27.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.9 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -100.13 -28.89 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 -32.72 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.05 -22.59 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.1 -14.09 33.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.793 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -86.75 -57.43 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -21.12 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -46.24 11.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.116 HG22 HB12 ' A' ' 32' ' ' AIB . 19.2 mt -77.13 -18.87 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t30 -54.65 -21.59 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.78 -18.67 56.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -169.95 100.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 1.116 HB12 HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.117 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 -123.51 -38.13 2.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.822 1.326 . . . . 0.0 110.309 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.78 -16.93 12.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -123.18 20.63 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 37.74 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.502 0.191 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.96 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -111.54 85.13 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.4 tttt 56.16 93.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 99.5 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.32 124.08 30.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 169.52 146.76 0.1 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.23 53.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.84 72.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -141.03 -54.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.075 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -151.71 166.39 15.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -168.79 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.62 26.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' PRO . 3.0 tp10 -120.58 -23.61 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -111.89 -33.3 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' CD1' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -85.17 -21.21 29.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.42 81.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -58.43 -21.75 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -94.66 -12.0 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.866 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.03 -28.71 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -33.24 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 -22.56 34.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.988 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.46 36.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.9 tpt180 -84.62 -56.45 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.606 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.85 18.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 1.019 HG22 HB12 ' A' ' 32' ' ' AIB . 16.9 mm -77.92 -13.76 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -52.87 -26.66 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.83 -17.96 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -163.77 99.8 0.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 1.019 HB12 HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.632 0 CA-C-O 117.765 -1.112 . . . . 0.0 108.156 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -124.57 -37.8 2.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 124.792 1.308 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -63.55 -21.88 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 28.54 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.64 -52.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.472 0.177 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -39.54 -57.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 ttpt 67.8 93.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.45 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t0 65.32 125.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 178.25 150.83 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -176.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.81 53.39 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -89.52 -58.98 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 65.2 m-20 -100.56 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . 66.75 69.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -21.42 15.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 52.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -135.05 -34.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -104.35 -29.25 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.86 73.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.16 88.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.85 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -91.95 -13.17 31.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.25 -28.79 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -77.63 -35.35 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -26.12 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.05 -15.12 63.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.672 ' N ' HD13 ' A' ' 24' ' ' LEU . 10.1 mtt180 -83.26 -60.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -23.21 48.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.559 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.92 -42.66 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.6 mm -82.98 -7.59 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.0 t-20 -56.41 -18.75 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.892 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -82.86 -15.77 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.652 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -136.54 113.28 10.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.652 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 117.736 -1.126 . . . . 0.0 108.112 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -122.79 -37.29 2.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.813 1.321 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.82 -34.68 78.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 29.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.45 -52.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.453 0.168 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 53.51 174.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.52 157.73 69.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -59.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.2 170.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -40.46 100.71 0.22 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.77 -45.34 0.55 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 69.73 65.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -132.24 -50.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . 71.22 67.62 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.239 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HA ' ' OD1' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -75.03 -4.89 16.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.46 -13.44 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.33 -20.56 47.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' OD1' ' HA ' ' A' ' 13' ' ' PRO . 3.3 m-20 -88.35 -54.41 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -56.61 -29.92 62.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.35 -56.76 15.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 11.2 mmt180 -58.28 -23.55 56.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -100.45 14.31 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CE1' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -129.52 -42.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -26.74 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -101.28 -13.15 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -74.76 -14.87 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.755 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -81.71 -56.03 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -26.59 68.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -80.25 -38.65 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 27.5 mm -85.94 -4.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -59.8 -23.83 63.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -89.21 -17.19 29.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HB1' ' CB ' ' A' ' 35' ' ' ARG . . . -97.26 37.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.909 HB11 ' CZ ' ' A' ' 33' ' ' ARG . . . . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 117.728 -1.129 . . . . 0.0 108.134 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.909 ' CZ ' HB11 ' A' ' 32' ' ' AIB . 5.2 mmp_? -118.76 -37.96 3.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.837 1.336 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -11.89 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.699 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -137.34 14.14 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 58.84 148.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.561 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.557 0.218 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 1' ' ' TYR . 18.2 Cg_endo -75.1 -174.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 63.58 151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.16 155.25 42.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -74.96 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 2.0 m-20 76.66 118.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 m-20 -56.23 -51.91 77.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -74.94 155.81 43.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.49 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.86 -56.02 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.85 163.28 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.45 75.93 0.83 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.43 12.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -31.43 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -82.31 -13.14 57.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -79.01 -38.85 35.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.28 -44.56 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.28 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -58.32 -25.4 61.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 t80 -89.45 -14.66 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -33.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -66.34 -39.54 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.35 -10.78 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -94.45 -23.27 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -25.77 17.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.5 -29.25 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 19.1 mm -82.5 -8.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.0 -19.68 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.69 -19.3 59.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.613 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -154.6 116.33 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.613 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.124 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -122.15 -37.22 2.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.834 1.334 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -19.32 34.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 20.75 11.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 37.77 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.475 0.178 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -80.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.803 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.434 ' CA ' ' HE2' ' A' ' 4' ' ' LYS . 48.4 t 61.52 110.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' HE2' ' CA ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -124.22 160.29 53.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -58.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 163.59 -35.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -122.23 163.06 34.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -33.02 4.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.791 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.99 66.69 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -130.1 -44.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -120.47 171.38 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . 66.85 154.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -171.66 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.53 26.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -120.55 -23.47 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -111.39 -33.54 6.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -41.02 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 -45.29 89.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -23.19 56.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -93.0 -12.68 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -34.18 10.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -37.85 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.77 -12.01 60.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -73.38 -17.89 61.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -75.69 -25.99 57.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -99.29 -22.9 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -88.03 -15.38 36.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 31' ' ' ALA . 3.6 mm -90.75 -13.25 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.42 -20.12 6.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -90.17 -22.84 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.674 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -79.49 -96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.674 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -129.96 -44.17 1.19 Allowed 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 124.897 1.373 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -20.21 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -117.42 18.33 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' ARG . 5.1 m-85 37.41 84.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.521 0.2 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.46 2.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.71 162.33 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 90.11 25.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -105.1 135.12 47.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -148.92 131.64 7.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.48 -68.32 0.5 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.03 -54.0 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 0.804 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.9 150.93 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.59 86.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -81.56 -16.29 52.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -45.81 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -48.43 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.62 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.95 -11.81 27.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.14 -28.74 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 -33.16 33.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -22.74 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.987 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.8 -13.77 37.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.782 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.76 -58.54 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -62.72 -24.53 67.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CD2' HG12 ' A' ' 28' ' ' ILE . 2.9 t80 -81.14 -37.42 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.555 HG23 ' HB3' ' A' ' 31' ' ' ALA . 24.6 mm -84.65 -6.46 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.91 -28.78 64.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.855 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.01 -16.84 57.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.987 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -86.2 60.74 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.664 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.696 -1.145 . . . . 0.0 108.136 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' NH2 . 6.4 mmm-85 -130.61 -42.85 1.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 124.883 1.365 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -20.95 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.987 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -87.36 16.74 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 6.8 m-85 -160.85 -59.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.413 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 5.3 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.473 0.177 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.94 157.65 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.71 158.01 43.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -44.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.17 90.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -147.64 156.62 45.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 61.15 5.59 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.19 -58.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -43.66 -46.42 7.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -44.47 149.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -159.62 162.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.04 -11.86 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.36 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.39 -15.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -88.25 -48.15 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -24.21 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.29 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -58.42 -21.72 51.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.5 t80 -94.78 -11.93 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.04 -28.62 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -81.36 -33.3 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.77 35.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.52 -13.86 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.78 ' N ' HD13 ' A' ' 24' ' ' LEU . 6.1 tpt180 -82.7 -61.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -24.37 57.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.97 -40.82 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.5 mm -84.19 -6.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -60.41 -15.84 30.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -101.34 -17.28 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -93.78 52.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.658 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.737 -1.125 . . . . 0.0 108.188 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.2 mtp180 -141.69 -46.12 0.36 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.826 1.329 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -23.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.966 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.33 27.7 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -162.81 -54.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.506 0.193 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 171.45 18.29 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -41.85 128.49 3.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -75.37 -48.45 4.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.1 Cg_endo -75.04 -21.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 166.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.7 t30 41.47 87.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.93 24.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.93 64.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -104.71 59.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 2.0 m-20 43.46 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 179.13 73.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -9.92 20.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -73.22 -21.11 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.09 -21.85 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -33.82 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -17.49 47.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -71.45 -49.11 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -58.39 -21.6 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -94.98 -11.94 27.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -99.96 -28.85 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t -81.18 -33.23 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.82 34.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.54 -13.82 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.3 tpt180 -82.34 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -24.87 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.74 -40.28 22.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' CD2' ' A' ' 24' ' ' LEU . 32.0 mm -85.34 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ARG . 18.0 t30 -60.17 -16.15 30.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -99.75 -17.29 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 34' ' ' GLN . . . -112.66 31.21 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.575 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.16 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -39.59 5.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.821 1.326 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 1.7 mt-30 -50.85 -42.66 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -92.51 23.79 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 52.58 57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.466 0.174 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 95.08 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.98 86.6 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -141.85 154.79 65.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.57 91.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -131.12 92.22 33.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.54 58.02 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -136.24 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 178.38 161.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.11 158.29 58.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.696 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.95 169.38 22.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 84.05 -50.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.67 -8.66 59.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -94.91 -27.97 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -64.11 -21.46 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.1 77.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -58.33 -21.23 48.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -95.28 -12.0 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.19 -28.75 12.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -32.97 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.73 34.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.0 -13.51 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.771 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.52 -59.24 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -23.62 62.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -83.25 -41.69 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 31' ' ' ALA . 34.0 mm -83.11 -7.43 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ARG . 47.5 t-20 -59.98 -16.42 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -99.95 -17.76 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB3' HG23 ' A' ' 28' ' ' ILE . . . -94.86 49.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.414 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.107 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -48.14 -42.73 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 124.857 1.348 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -40.45 -38.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.24 30.08 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 53.47 105.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.568 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.483 0.182 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.17 39.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m -97.79 160.59 14.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -162.84 93.72 1.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.66 20.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.94 140.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 t-20 -68.01 -51.94 25.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -75.0 -173.34 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.99 64.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.75 -59.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -155.1 121.88 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.99 156.13 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.61 21.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.9 73.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.84 -17.8 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.48 -49.85 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.42 -24.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.62 80.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -58.39 -21.37 50.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.23 -11.73 27.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.894 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.2 -28.86 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -32.97 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.82 -22.26 34.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.003 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.9 -13.65 36.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.37 -58.57 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -22.6 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -43.78 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.2 mm -78.17 -15.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -18.18 15.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -91.42 5.04 50.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.646 ' O ' HB22 ' A' ' 32' ' ' AIB . . . -93.41 42.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.646 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.158 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.78 -42.22 2.42 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.84 1.338 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -56.54 -42.02 77.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -96.12 26.62 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 51.29 101.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.477 0.18 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -66.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -165.83 76.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -68.8 142.32 93.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -163.77 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.77 135.95 54.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -67.5 113.1 12.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -53.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 57.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.43 62.3 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 139.16 53.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.47 159.37 2.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.696 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 162.5 36.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.65 -51.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -5.39 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -104.13 -24.16 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -58.97 -17.89 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.42 78.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -58.38 -21.69 51.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -94.97 -11.96 27.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.862 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.87 -28.57 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -34.15 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.42 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.7 -14.28 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.42 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -20.37 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -88.08 -42.19 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 27' ' ' TYR . 34.8 mm -83.08 -7.01 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.3 p-10 -55.56 -19.52 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.941 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -78.81 -18.61 53.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' HB22 ' A' ' 32' ' ' AIB . . . -108.64 61.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.524 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.137 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -73.15 -46.81 48.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.802 1.313 . . . . 0.0 110.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -44.21 -50.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -95.01 29.93 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 61.63 108.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.544 0.212 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.38 -70.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.8 157.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.88 159.89 44.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 172.95 160.68 0.28 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.88 39.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.76 -69.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 39.25 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.37 94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.14 154.89 6.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.83 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -82.44 -16.56 48.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -88.36 -24.87 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.58 -23.77 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.97 77.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -21.4 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.16 -11.83 27.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.882 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -28.78 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -33.17 32.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -22.84 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.32 -13.9 33.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -83.16 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -56.56 -24.27 45.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.621 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -82.91 -41.24 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 24' ' ' LEU . 34.3 mm -84.93 -5.09 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 30' ' ' LEU . 29.0 p-10 -59.28 -21.2 59.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.915 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -90.19 -17.79 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.08 51.98 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.502 ' O ' ' CE2' ' A' ' 36' ' ' TYR . . . . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.086 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -48.35 -41.72 29.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 124.809 1.318 . . . . 0.0 110.281 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -56.03 -17.87 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -89.0 18.61 4.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 35' ' ' ARG . 6.5 m-85 -160.4 -49.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.519 0.2 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.28 75.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.84 154.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.8 30.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.07 141.0 48.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.78 146.1 82.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.07 26.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.27 68.07 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.35 69.96 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 33.9 m-20 -72.64 148.93 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 169.82 161.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.676 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 167.6 26.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.86 -51.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -85.27 -6.1 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.97 -25.45 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.21 -46.8 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.79 84.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.63 57.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -92.33 -12.73 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.44 -28.87 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -35.3 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.86 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.98 -15.23 62.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.699 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.4 mtt-85 -82.61 -63.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -22.92 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.76 -43.02 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 31' ' ' ALA . 25.8 mm -82.37 -8.24 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -58.85 -16.98 19.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -91.38 -16.3 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB3' HG23 ' A' ' 28' ' ' ILE . . . -90.2 50.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.492 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 117.743 -1.123 . . . . 0.0 108.142 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -47.72 -45.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 124.856 1.348 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 2.8 tp-100 -76.67 151.16 36.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 77.0 27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.344 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 56.26 106.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.51 4.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -109.42 117.39 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER 68.63 93.52 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' ASN . 14.7 p-10 -122.55 148.66 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.1 m120 -40.46 100.74 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.29 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.61 -44.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.95 56.49 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 2.7 p-10 -134.63 -56.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 177.56 154.31 0.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.672 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.05 170.9 19.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.7 -51.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -86.32 -4.99 59.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -105.73 -24.26 12.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -92.04 -38.5 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.98 75.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -58.36 -22.11 52.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.3 t80 -94.38 -11.96 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.61 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -81.25 -33.21 32.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.53 -22.95 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.5 -13.8 34.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.06 -60.32 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.38 -22.28 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.46 -41.85 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.2 mm -78.45 -17.27 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -55.04 -20.64 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.75 15.47 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' CD ' ' A' ' 35' ' ' ARG . . . -94.61 17.39 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.113 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -39.22 3.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.869 1.356 . . . . 0.0 110.252 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.86 -44.87 91.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CD ' ' HB1' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -93.98 30.39 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.81 -51.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.454 0.169 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 p -142.81 170.73 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 155.7 40.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 125.78 9.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.454 1.765 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 10.2 t0 62.07 118.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 m-20 162.73 -51.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -74.99 -177.41 3.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.11 58.96 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -133.58 80.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.56 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.84 84.08 63.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.696 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.97 -179.93 5.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.89 -50.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -7.81 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.71 -25.54 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -66.64 -24.14 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.07 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.43 -23.57 57.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.34 -12.9 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.579 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.39 -28.8 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -35.31 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.95 -15.16 62.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.94 -59.8 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -21.82 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -45.23 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 35.4 mm -79.24 -11.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' ARG . 26.2 t-20 -49.49 -38.7 31.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.911 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -53.22 -20.93 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.682 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -79.75 -139.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.682 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 117.758 -1.115 . . . . 0.0 108.137 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.25 -46.05 15.36 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.82 1.325 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -48.54 -42.41 33.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -94.6 21.48 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 56.83 108.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.589 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.186 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.546 ' HB2' ' CE1' ' A' ' 1' ' ' TYR . 6.3 m 39.86 80.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.82 113.52 18.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.09 2.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.43 126.47 33.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 52.4 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.65 59.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.23 -55.17 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -135.05 103.75 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.93 156.78 1.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.682 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.62 -51.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.23 -5.1 59.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -105.06 -22.33 13.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -99.07 -36.6 9.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -64.67 -48.02 76.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -24.05 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.3 t80 -91.74 -13.11 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.27 -28.82 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -35.36 53.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -25.3 38.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.985 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -68.45 -14.99 63.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.66 ' N ' HD13 ' A' ' 24' ' ' LEU . 23.0 mtp180 -83.47 -60.18 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -23.43 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.499 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.1 mm -83.32 -7.41 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' ARG . 16.6 t30 -59.12 -16.74 21.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -94.6 -17.36 22.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.44 54.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.087 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' NH2 . 1.5 ttt-85 -49.56 -25.33 2.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 124.793 1.308 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -20.84 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' TYR . 13.6 mtt85 -91.77 20.98 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 35' ' ' ARG . 3.1 m-85 -159.22 -59.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.489 0.185 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.22 4.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 t -147.05 -58.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.56 89.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.98 5.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 59.78 158.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.63 132.64 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.67 4.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.49 -58.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 67.02 57.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 179.04 87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.71 157.8 1.86 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.01 -169.72 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.58 26.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 13' ' ' PRO . 5.9 tt0 -120.56 -23.6 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.71 -33.46 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.35 -14.63 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.83 -48.59 63.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -58.39 -21.15 49.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -95.5 -11.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.5 13.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -33.37 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.39 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.93 -13.67 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.777 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -84.57 -58.92 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.74 -23.31 63.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.581 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.88 -42.74 17.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' ILE . 27.7 mm -79.17 -17.55 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -52.47 -26.08 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -13.69 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.25 -97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 117.745 -1.122 . . . . 0.0 108.146 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.39 -50.33 0.12 Allowed 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 124.834 1.334 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -89.71 -22.25 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 32.72 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.03 -49.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.533 0.206 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.27 21.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.94 -164.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -129.31 161.17 60.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 86.92 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.01 138.84 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -130.96 82.67 63.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -63.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.89 -60.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 53.7 65.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 54.97 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . -37.71 98.29 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . 176.07 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.85 -16.21 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 -45.0 12.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -15.69 47.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -58.41 -21.84 52.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -94.63 -12.03 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.859 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.92 -28.11 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -34.45 32.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.43 -23.09 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.82 -13.72 36.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -84.45 -59.92 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -23.42 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.651 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.5 -41.99 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.3 mm -82.95 -7.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' ARG . 34.5 t-20 -59.97 -16.24 28.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.873 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -98.2 -17.26 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' O ' HB22 ' A' ' 32' ' ' AIB . . . -111.9 54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.555 HB21 ' CD1' ' A' ' 36' ' ' TYR . . . . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 117.758 -1.115 . . . . 0.0 108.107 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' AIB . 0.0 OUTLIER -37.87 -31.29 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 124.779 1.299 . . . . 0.0 110.256 -179.907 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' AIB . 8.9 mm-40 -41.43 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.592 ' C ' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -117.67 17.72 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 35' ' ' ARG . 3.8 m-85 -160.52 75.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.472 0.177 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p 177.93 46.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -128.15 79.94 73.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 147.64 34.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.1 173.01 11.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -91.51 146.82 34.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.06 21.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.7 71.08 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -143.96 90.62 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 0.797 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.92 109.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -174.13 164.44 2.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -13.41 21.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.748 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -73.58 -15.87 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.56 -26.0 45.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -99.35 -46.75 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -12.48 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -55.55 -48.8 74.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -58.44 -23.85 58.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.97 -13.01 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.44 -28.71 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -77.71 -35.34 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.27 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.93 -15.06 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.665 ' N ' HD13 ' A' ' 24' ' ' LEU . 26.8 mtt85 -83.39 -60.6 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -23.2 50.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -83.84 -42.62 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CG1' HD22 ' A' ' 24' ' ' LEU . 25.7 mm -82.64 -8.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 35.6 t30 -57.0 -23.71 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -80.21 -16.45 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.857 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -87.03 63.14 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.668 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 117.722 -1.132 . . . . 0.0 108.099 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.2 mmm180 -125.12 -40.44 2.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 124.837 1.336 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.77 -21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.857 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -88.07 18.82 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 5.2 m-85 -160.34 -55.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.491 0.186 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -62.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 37.3 t -174.67 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 5.8 tttp 165.12 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.2 Cg_endo -75.0 83.95 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -177.08 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 41.85 88.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.59 57.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.02 70.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' PRO . 1.8 m-20 -89.68 128.87 36.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . -37.66 98.31 0.16 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . 176.09 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.25 -15.76 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 5.0 m-20 -94.71 -29.46 14.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -81.72 -36.68 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.86 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 16' ' ' ASP . 9.4 ptp180 -58.37 -24.35 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.1 t80 -91.44 -13.3 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.94 -29.04 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 -35.54 53.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.65 -24.2 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -69.87 -15.06 63.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.5 mmt85 -83.49 -59.83 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -23.07 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -42.92 16.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 22.8 mm -81.65 -9.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' ARG . 49.5 t30 -56.38 -18.81 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -85.19 -17.45 37.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.623 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -139.65 79.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.623 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 117.723 -1.132 . . . . 0.0 108.158 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -159.92 -45.3 0.05 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 124.84 1.337 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -51.38 -21.52 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 2.8 ttp85 -91.01 20.97 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 3.7 m-85 -158.81 -59.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.507 0.194 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 177.6 8.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.42 -60.33 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.8 tttt -51.75 143.15 22.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.04 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -80.47 143.97 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.6 t30 -75.05 -51.76 3.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.812 ' HG2' ' HB2' ' A' ' 12' ' ' ALA . 18.5 Cg_endo -74.97 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.7 -45.17 0.19 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -55.98 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -95.63 63.52 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.812 ' HB2' ' HG2' ' A' ' 8' ' ' PRO . . . -172.72 72.84 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.04 100.98 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.654 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 176.33 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.44 -17.52 56.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.86 -33.25 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.22 -19.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -49.53 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -58.41 -21.18 49.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.45 -11.8 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.858 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.37 -28.84 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -81.14 -32.76 33.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -22.89 33.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.42 36.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.765 ' N ' HD13 ' A' ' 24' ' ' LEU . 5.4 ttt85 -85.49 -59.33 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -58.78 -22.78 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -83.67 -43.84 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 28' ' ' ILE . 31.3 mm -77.7 -19.79 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t-20 -53.84 -21.83 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.58 -14.6 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -55.49 -97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.573 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 117.727 -1.13 . . . . 0.0 108.117 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -122.82 -44.98 2.18 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.817 1.323 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -41.11 69.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.81 29.6 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 54.27 106.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.37 14.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.71 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.65 156.5 32.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -168.01 111.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -148.59 89.83 4.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -57.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.49 57.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.1 67.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.45 97.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -121.27 162.24 36.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.691 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.95 167.89 26.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.64 -51.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -85.45 -5.86 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -102.82 -24.86 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -15.83 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.45 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -21.76 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -94.7 -11.98 28.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.88 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.05 -28.74 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -33.13 32.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -22.56 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.62 -13.83 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.6 tpt180 -82.74 -61.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -58.74 -24.12 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.95 -40.78 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 20.9 mm -83.23 -8.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -54.62 -30.57 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.904 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.04 -16.08 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.011 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -88.46 60.8 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.668 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.749 -1.119 . . . . 0.0 108.091 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' TYR . 3.5 mmm-85 -134.54 -44.93 0.75 Allowed 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 124.837 1.336 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -46.72 -24.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.011 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.27 31.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -154.26 -56.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.426 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.48 0.181 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -171.26 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -77.84 159.97 28.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.05 88.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.52 2.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.33 -56.73 17.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -127.44 97.66 30.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.22 67.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.8 -59.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -146.54 143.86 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.1 84.97 2.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -13.25 21.56 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.91 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.33 -10.8 58.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -86.45 -43.64 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.22 -52.74 7.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.37 86.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -58.38 -25.38 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.682 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.8 t80 -89.43 -14.62 35.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.2 -33.24 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -66.38 -39.51 89.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.0 -14.66 58.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.84 -10.95 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.46 -22.6 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -27.86 16.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.618 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -84.83 -31.92 23.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' LEU . 98.9 mt -79.5 -13.15 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.59 -18.6 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 30' ' ' LEU . 13.5 mt -95.82 -21.03 18.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.688 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -85.31 -97.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.688 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 117.709 -1.139 . . . . 0.0 108.11 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -119.09 -56.67 2.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 124.846 1.341 . . . . 0.0 110.298 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -38.75 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' C ' ' A' ' 36' ' ' TYR . 12.9 mtt180 -113.46 58.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.588 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -24.63 102.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.574 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.543 0.211 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.19 27.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -154.6 84.58 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mttt 56.6 88.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.54 -55.48 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 62.58 132.67 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 78.16 2.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -131.31 -71.32 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 37.5 90.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 174.8 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.65 157.41 1.47 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -13.38 21.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.8 77.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.69 -16.97 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.69 -47.59 10.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -26.83 66.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.66 80.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -58.38 -21.59 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.04 -11.53 28.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.873 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.31 -29.06 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -32.96 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.28 34.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -13.32 39.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -87.67 -55.2 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.02 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -85.19 -45.58 11.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.49 HG13 HD22 ' A' ' 24' ' ' LEU . 22.8 mm -74.64 -17.51 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -53.21 -20.61 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.87 -23.95 19.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.87 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -106.91 50.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.767 -1.111 . . . . 0.0 108.149 -179.996 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' TYR . 10.3 mtp85 -141.1 -45.57 0.38 Allowed 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 124.846 1.341 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.77 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.87 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.07 30.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -152.16 -56.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.448 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.51 0.195 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.4 40.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -152.18 -61.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 5' ' ' PRO . 14.4 tptt 71.29 118.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' N ' ' HD2' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -74.98 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.91 145.8 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.505 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -74.55 -51.84 4.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.2 Cg_endo -75.01 128.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.768 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 10' ' ' GLU . . . 158.22 -32.39 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 69.92 -57.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -175.17 -83.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.48 154.86 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.04 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.57 26.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -120.58 -23.76 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.12 -33.54 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -56.77 -32.33 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -21.66 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -94.9 -11.93 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.12 -28.49 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -81.1 -33.68 33.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.03 -23.2 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.87 -13.6 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.768 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.88 -59.72 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -22.39 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.76 -42.31 18.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.3 mm -78.94 -19.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -55.41 -20.92 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.44 14.73 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -85.6 -7.79 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.404 ' C ' ' N ' ' A' ' 34' ' ' GLN . . . . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 117.774 -1.108 . . . . 0.0 108.094 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -43.32 -27.5 0.26 Allowed 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 124.769 1.293 . . . . 0.0 110.286 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 3.9 tt0 -48.46 -62.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.19 9.77 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 55.54 105.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.552 0.215 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.15 -71.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -141.81 88.63 9.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.69 29.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t70 177.24 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -157.88 98.3 1.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.24 64.07 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -50.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -55.16 13.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.23 91.98 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.34 21.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.79 -34.7 78.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.65 -16.52 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -85.84 -48.69 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -29.38 70.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -47.78 83.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.41 -25.39 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.669 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.32 -14.83 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.16 -33.22 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.29 -39.3 89.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.17 -15.05 57.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.39 -10.54 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.51 -22.94 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.7 -24.58 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.75 -23.33 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 30.9 mm -88.44 -10.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 16.8 t-20 -54.18 -34.0 59.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -67.67 -15.52 63.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.014 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -84.99 54.62 3.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.61 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.158 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.3 mmm-85 -132.9 -44.82 0.87 Allowed 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 124.828 1.33 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -24.79 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 1.014 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.01 32.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CG ' ' N ' ' A' ' 37' ' ' NH2 . 0.1 OUTLIER -160.3 -56.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . 0.447 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.494 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.519 0.2 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 3' ' ' SER . 18.2 Cg_endo -75.07 138.28 22.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER 82.16 -64.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -90.78 156.72 44.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.77 5.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.494 ' HB3' ' CD2' ' A' ' 1' ' ' TYR . 25.0 p30 -115.54 176.16 5.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -58.76 161.8 7.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.68 9.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.32 69.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.07 -55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.533 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 35.3 m-20 48.37 94.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 174.06 165.43 0.32 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.679 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.75 -51.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.58 -25.7 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -92.12 -18.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 -47.99 74.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -25.36 61.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.48 -14.61 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' CD2' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.19 -33.27 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -39.56 89.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.96 -14.72 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.73 -10.91 59.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -94.33 -22.93 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.27 -27.55 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.616 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.2 t80 -85.77 -31.82 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 18.2 mm -80.35 -11.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.73 -19.27 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -86.9 -19.49 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.043 ' N ' HD13 ' A' ' 30' ' ' LEU . . . -108.5 140.32 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' AIB . . . . . 0.439 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 117.754 -1.117 . . . . 0.0 108.125 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -39.38 5.36 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 124.807 1.317 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -51.96 -41.59 62.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -99.52 26.75 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 43.92 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.32 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -94.84 -12.03 27.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.06 -28.62 12.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -33.28 33.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.71 34.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.86 -13.61 35.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.774 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -86.46 -55.66 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -22.54 65.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -85.19 -45.83 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 27' ' ' TYR . 25.5 mm . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.56 85.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.35 -23.36 56.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -92.64 -12.78 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.63 -29.07 12.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -77.65 -35.15 52.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.09 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -14.99 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 mtm180 -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -21.73 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.0 -43.87 14.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.49 ' CG1' HD22 ' A' ' 24' ' ' LEU . 24.7 mm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.77 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.37 -21.48 50.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -95.14 -11.83 27.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.9 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -100.13 -28.89 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 -32.72 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.05 -22.59 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.1 -14.09 33.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.793 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -86.75 -57.43 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -21.12 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -46.24 11.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.894 HD12 ' CD2' ' A' ' 24' ' ' LEU . 19.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' CD1' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.42 81.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -58.43 -21.75 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -94.66 -12.0 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.866 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.03 -28.71 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -33.24 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 -22.56 34.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.988 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.46 36.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.9 tpt180 -84.62 -56.45 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.606 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.85 18.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.9 mm . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.16 88.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.85 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -91.95 -13.17 31.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.25 -28.79 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -77.63 -35.35 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -26.12 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.05 -15.12 63.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.672 ' N ' HD13 ' A' ' 24' ' ' LEU . 10.1 mtt180 -83.26 -60.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -23.21 48.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.559 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.92 -42.66 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.6 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.35 -56.76 15.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 11.2 mmt180 -58.28 -23.55 56.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -100.45 14.31 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CE1' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -129.52 -42.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -26.74 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -101.28 -13.15 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -74.76 -14.87 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.755 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -81.71 -56.03 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -26.59 68.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -80.25 -38.65 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 27.5 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.28 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -58.32 -25.4 61.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 t80 -89.45 -14.66 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -33.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -66.34 -39.54 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.35 -10.78 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -94.45 -23.27 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -25.77 17.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.5 -29.25 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 19.1 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 -45.29 89.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -23.19 56.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -93.0 -12.68 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -34.18 10.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -37.85 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.77 -12.01 60.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -73.38 -17.89 61.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -75.69 -25.99 57.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -99.29 -22.9 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -88.03 -15.38 36.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.552 HG13 HD23 ' A' ' 24' ' ' LEU . 3.6 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.62 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.95 -11.81 27.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.14 -28.74 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 -33.16 33.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -22.74 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.987 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.8 -13.77 37.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.782 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.76 -58.54 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -62.72 -24.53 67.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CD2' HG12 ' A' ' 28' ' ' ILE . 2.9 t80 -81.14 -37.42 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.464 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.6 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.29 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -58.42 -21.72 51.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.5 t80 -94.78 -11.93 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.04 -28.62 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -81.36 -33.3 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.77 35.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.52 -13.86 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.78 ' N ' HD13 ' A' ' 24' ' ' LEU . 6.1 tpt180 -82.7 -61.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -24.37 57.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.97 -40.82 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.5 mm . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.45 -49.11 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -58.39 -21.6 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -94.98 -11.94 27.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -99.96 -28.85 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t -81.18 -33.23 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.82 34.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.54 -13.82 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.3 tpt180 -82.34 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -24.87 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.74 -40.28 22.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' CD2' ' A' ' 24' ' ' LEU . 32.0 mm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.1 77.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -58.33 -21.23 48.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -95.28 -12.0 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.19 -28.75 12.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -32.97 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.73 34.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.0 -13.51 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.771 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.52 -59.24 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -23.62 62.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -83.25 -41.69 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 28' ' ' ILE . 34.0 mm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.62 80.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -58.39 -21.37 50.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.23 -11.73 27.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.894 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.2 -28.86 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -32.97 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.82 -22.26 34.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.003 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.9 -13.65 36.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.37 -58.57 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -22.6 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -43.78 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.2 mm . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.42 78.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -58.38 -21.69 51.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -94.97 -11.96 27.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.862 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.87 -28.57 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -34.15 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.42 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.7 -14.28 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.42 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -20.37 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -88.08 -42.19 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 27' ' ' TYR . 34.8 mm . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.97 77.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -21.4 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.16 -11.83 27.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.882 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -28.78 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -33.17 32.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -22.84 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.32 -13.9 33.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -83.16 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -56.56 -24.27 45.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.621 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -82.91 -41.24 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 24' ' ' LEU . 34.3 mm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.79 84.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.63 57.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -92.33 -12.73 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.44 -28.87 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -35.3 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.86 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.98 -15.23 62.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.699 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.4 mtt-85 -82.61 -63.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -22.92 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.76 -43.02 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.504 ' CG1' HD22 ' A' ' 24' ' ' LEU . 25.8 mm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.98 75.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -58.36 -22.11 52.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.3 t80 -94.38 -11.96 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.61 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -81.25 -33.21 32.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.53 -22.95 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.5 -13.8 34.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.06 -60.32 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.38 -22.28 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.46 -41.85 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.2 mm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.07 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.43 -23.57 57.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.34 -12.9 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.579 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.39 -28.8 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -35.31 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.95 -15.16 62.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.94 -59.8 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -21.82 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -45.23 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG1' HD22 ' A' ' 24' ' ' LEU . 35.4 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -48.02 76.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -24.05 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.3 t80 -91.74 -13.11 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.27 -28.82 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -35.36 53.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -25.3 38.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.985 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -68.45 -14.99 63.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.66 ' N ' HD13 ' A' ' 24' ' ' LEU . 23.0 mtp180 -83.47 -60.18 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -23.43 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.499 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.1 mm . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.83 -48.59 63.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -58.39 -21.15 49.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -95.5 -11.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.5 13.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -33.37 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.39 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.93 -13.67 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.777 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -84.57 -58.92 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.74 -23.31 63.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.581 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.88 -42.74 17.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' ILE . 27.7 mm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -58.41 -21.84 52.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -94.63 -12.03 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.859 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.92 -28.11 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -34.45 32.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.43 -23.09 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.82 -13.72 36.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -84.45 -59.92 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -23.42 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.651 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.5 -41.99 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.945 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.8 74.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -58.44 -23.85 58.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.97 -13.01 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.44 -28.71 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -77.71 -35.34 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.27 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.93 -15.06 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.665 ' N ' HD13 ' A' ' 24' ' ' LEU . 26.8 mtt85 -83.39 -60.6 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -23.2 50.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -83.84 -42.62 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CG1' HD22 ' A' ' 24' ' ' LEU . 25.7 mm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.86 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -58.37 -24.35 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.545 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.1 t80 -91.44 -13.3 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.498 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.94 -29.04 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 -35.54 53.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.65 -24.2 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -69.87 -15.06 63.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.5 mmt85 -83.49 -59.83 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -23.07 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -42.92 16.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 22.8 mm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -49.53 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -58.41 -21.18 49.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.45 -11.8 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.858 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.37 -28.84 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -81.14 -32.76 33.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -22.89 33.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.42 36.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.765 ' N ' HD13 ' A' ' 24' ' ' LEU . 5.4 ttt85 -85.49 -59.33 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -58.78 -22.78 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -83.67 -43.84 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 28' ' ' ILE . 31.3 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.45 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -21.76 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -94.7 -11.98 28.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.88 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.05 -28.74 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -33.13 32.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -22.56 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.62 -13.83 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.6 tpt180 -82.74 -61.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -58.74 -24.12 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.95 -40.78 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 20.9 mm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.37 86.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -58.38 -25.38 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.682 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.8 t80 -89.43 -14.62 35.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.2 -33.24 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -66.38 -39.51 89.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.0 -14.66 58.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.84 -10.95 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.46 -22.6 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -27.86 16.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.618 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -84.83 -31.92 23.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' LEU . 98.9 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.66 80.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -58.38 -21.59 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.04 -11.53 28.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.873 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.31 -29.06 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -32.96 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.28 34.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -13.32 39.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -87.67 -55.2 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.02 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -85.19 -45.58 11.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.49 HG13 HD22 ' A' ' 24' ' ' LEU . 22.8 mm . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -21.66 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -94.9 -11.93 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.12 -28.49 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -81.1 -33.68 33.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.03 -23.2 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.87 -13.6 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.768 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.88 -59.72 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -22.39 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.76 -42.31 18.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.3 mm . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -47.78 83.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.41 -25.39 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.669 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.32 -14.83 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.16 -33.22 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.29 -39.3 89.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.17 -15.05 57.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.39 -10.54 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.51 -22.94 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.7 -24.58 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.75 -23.33 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.438 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 30.9 mm . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 -47.99 74.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -25.36 61.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.48 -14.61 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' CD2' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.19 -33.27 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -39.56 89.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.96 -14.72 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.73 -10.91 59.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -94.33 -22.93 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.27 -27.55 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.616 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -85.77 -31.82 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 18.2 mm . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.52 0.2 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -170.91 0.85 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m 63.72 76.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.556 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -76.24 -49.07 3.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.0 91.55 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 50.18 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -72.49 157.3 89.27 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -168.44 0.51 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.7 47.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.27 -49.28 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 0.0 110.319 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 1.8 t0 172.87 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 178.45 158.07 0.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.687 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.97 167.72 26.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.59 -51.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.253 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -3.55 58.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -109.67 -23.48 11.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.405 HD23 ' CE2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -69.49 -22.84 63.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.32 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -94.84 -12.03 27.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.06 -28.62 12.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -33.28 33.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.71 34.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.86 -13.61 35.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.774 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -86.46 -55.66 3.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.54 -22.54 65.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -85.19 -45.83 11.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.089 HG22 HB12 ' A' ' 32' ' ' AIB . 25.5 mm -77.56 -16.99 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.3 t30 -54.31 -25.85 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -73.51 -15.73 61.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.67 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -171.2 105.76 0.24 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 1.089 HB12 HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.638 0 CA-C-O 117.703 -1.142 . . . . 0.0 108.133 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -123.24 -37.62 2.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 124.846 1.342 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.38 -23.49 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.8 28.85 3.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -50.39 0.28 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.578 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.465 0.174 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -63.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 110.978 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -166.48 170.58 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 156.07 37.9 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.46 2.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 173.59 128.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.81 87.99 43.45 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.403 1.065 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.58 5.13 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.31 67.07 0.21 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.46 51.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 53.13 99.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.03 158.76 2.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -75.04 169.3 22.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.49 -51.58 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.12 -5.07 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -105.35 -24.9 12.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -58.34 -46.95 85.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.56 85.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -58.35 -23.36 56.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -92.64 -12.78 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.63 -29.07 12.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 110.948 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.1 t -77.65 -35.15 52.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.42 -28.09 37.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -14.99 56.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.694 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.8 mtm180 -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -21.73 22.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -84.0 -43.87 14.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.49 ' CG1' HD22 ' A' ' 24' ' ' LEU . 24.7 mm -79.51 -16.08 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.0 OUTLIER -53.79 -20.86 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.729 HD12 ' CB ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -92.62 23.0 4.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' CA ' ' HB2' ' A' ' 35' ' ' ARG . . . -103.4 -6.98 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 117.759 -1.115 . . . . 0.0 108.118 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' TYR . 9.1 mtp180 -146.77 -46.15 0.18 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.842 1.339 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.729 ' CB ' HD12 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -50.93 -22.13 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.574 ' HB2' ' CA ' ' A' ' 31' ' ' ALA . 1.8 ttp85 -90.7 22.59 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -151.13 -50.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' CD2' ' OD1' ' A' ' 6' ' ' ASP . 9.1 m-85 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.534 0.207 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' LYS . 18.5 Cg_endo -74.95 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -67.79 70.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER 62.84 142.31 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.04 5.4 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' OD1' ' CD2' ' A' ' 1' ' ' TYR . 4.4 p30 -61.39 148.21 42.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -122.7 98.88 42.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.79 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.38 -61.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 111.039 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 68.3 72.23 0.3 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -153.46 99.99 2.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.16 155.15 4.27 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -13.63 21.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.01 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -63.74 -35.43 80.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -81.04 -16.37 53.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.81 -28.34 18.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.01 -30.0 15.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -55.63 -49.77 71.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.37 -21.48 50.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -95.14 -11.83 27.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.9 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -100.13 -28.89 12.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.4 -32.72 32.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.05 -22.59 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.1 -14.09 33.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.793 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -86.75 -57.43 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -21.12 59.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.531 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -85.03 -46.24 11.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.116 HG22 HB12 ' A' ' 32' ' ' AIB . 19.2 mt -77.13 -18.87 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.1 t30 -54.65 -21.59 11.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.78 -18.67 56.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -169.95 100.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 1.116 HB12 HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 117.695 -1.145 . . . . 0.0 108.117 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 -123.51 -38.13 2.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.822 1.326 . . . . 0.0 110.309 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -57.78 -16.93 12.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -123.18 20.63 9.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 37.74 88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.502 0.191 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 84.96 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.464 1.771 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -111.54 85.13 2.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.4 tttt 56.16 93.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 99.5 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.556 1.819 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.32 124.08 30.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' A' ' 8' ' ' PRO . 1.1 t30 169.52 146.76 0.1 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 7' ' ' ASN . 18.5 Cg_endo -74.98 -46.1 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.526 1.803 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.23 53.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -138.84 72.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -141.03 -54.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.075 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -151.71 166.39 15.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.3 Cg_endo -74.97 -168.79 0.55 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.62 26.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 13' ' ' PRO . 3.0 tp10 -120.58 -23.61 6.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -111.89 -33.3 6.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.639 HD23 ' CD1' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -85.17 -21.21 29.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.42 81.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -58.43 -21.75 51.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -94.66 -12.0 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.866 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.03 -28.71 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.18 -33.24 33.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.56 -22.56 34.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.988 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.46 36.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.772 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.9 tpt180 -84.62 -56.45 3.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -63.55 -21.74 66.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.606 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.85 18.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 1.019 HG22 HB12 ' A' ' 32' ' ' AIB . 16.9 mm -77.92 -13.76 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -52.87 -26.66 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -68.83 -17.96 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.482 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -163.77 99.8 0.89 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 1.019 HB12 HG22 ' A' ' 28' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.632 0 CA-C-O 117.765 -1.112 . . . . 0.0 108.156 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -124.57 -37.8 2.46 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 124.792 1.308 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -63.55 -21.88 66.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 28.54 1.62 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -151.64 -52.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.472 0.177 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -39.24 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.532 1.807 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -39.54 -57.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 ttpt 67.8 93.62 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -39.45 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 t0 65.32 125.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 178.25 150.83 0.42 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -176.61 2.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.81 53.39 0.21 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -89.52 -58.98 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 65.2 m-20 -100.56 -56.5 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . 66.75 69.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -21.42 15.78 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.31 52.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -135.05 -34.65 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -104.35 -29.25 10.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -40.86 73.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.16 88.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.85 58.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -91.95 -13.17 31.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.25 -28.79 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.5 t -77.63 -35.35 52.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.54 -26.12 38.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.05 -15.12 63.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.672 ' N ' HD13 ' A' ' 24' ' ' LEU . 10.1 mtt180 -83.26 -60.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.43 -23.21 48.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.559 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.92 -42.66 16.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.6 mm -82.98 -7.59 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' ARG . 12.0 t-20 -56.41 -18.75 12.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.892 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -82.86 -15.77 50.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.652 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -136.54 113.28 10.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.652 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.597 0 CA-C-O 117.736 -1.126 . . . . 0.0 108.112 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 mmm-85 -122.79 -37.29 2.77 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 124.813 1.321 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.82 -34.68 78.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.1 29.5 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.45 -52.33 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.453 0.168 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 53.51 174.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.52 157.73 69.63 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -59.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.2 170.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -40.46 100.71 0.22 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -58.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.77 -45.34 0.55 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 69.73 65.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.9 OUTLIER -132.24 -50.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . 71.22 67.62 0.37 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.239 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HA ' ' OD1' ' A' ' 16' ' ' ASP . 18.3 Cg_endo -75.03 -4.89 16.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.46 -13.44 40.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -79.33 -20.56 47.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' OD1' ' HA ' ' A' ' 13' ' ' PRO . 3.3 m-20 -88.35 -54.41 4.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 HD23 ' CE1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -56.61 -29.92 62.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.35 -56.76 15.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.25 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.555 ' HB2' ' CE1' ' A' ' 20' ' ' TYR . 11.2 mmt180 -58.28 -23.55 56.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -100.45 14.31 31.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.623 ' CE1' HD23 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -129.52 -42.0 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -26.74 34.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -101.28 -13.15 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -74.76 -14.87 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.755 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -81.71 -56.03 4.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -26.59 68.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.4 OUTLIER -80.25 -38.65 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 27.5 mm -85.94 -4.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -59.8 -23.83 63.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -89.21 -17.19 29.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HB1' ' CB ' ' A' ' 35' ' ' ARG . . . -97.26 37.76 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.909 HB11 ' CZ ' ' A' ' 33' ' ' ARG . . . . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 117.728 -1.129 . . . . 0.0 108.134 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.909 ' CZ ' HB11 ' A' ' 32' ' ' AIB . 5.2 mmp_? -118.76 -37.96 3.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.837 1.336 . . . . 0.0 110.334 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -11.89 30.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.699 ' CB ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -137.34 14.14 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER 58.84 148.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.561 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.557 0.218 . . . . 0.0 110.964 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' O ' ' CE1' ' A' ' 1' ' ' TYR . 18.2 Cg_endo -75.1 -174.08 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 63.58 151.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.16 155.25 42.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' O ' ' CB ' ' A' ' 6' ' ' ASP . 18.3 Cg_endo -74.96 -48.16 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 2.0 m-20 76.66 118.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 m-20 -56.23 -51.91 77.09 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -74.94 155.81 43.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.766 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.49 55.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -95.86 -56.02 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.85 163.28 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.45 75.93 0.83 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.43 12.53 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.44 -31.43 62.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -82.31 -13.14 57.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -79.01 -38.85 35.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -45.28 -44.56 11.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.29 -47.28 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -58.32 -25.4 61.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.7 t80 -89.45 -14.66 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -33.19 10.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.4 m -66.34 -39.54 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.87 -15.09 58.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.35 -10.78 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -94.45 -23.27 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -25.77 17.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.607 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -87.5 -29.25 21.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 19.1 mm -82.5 -8.42 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -55.0 -19.68 7.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.795 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -75.69 -19.3 59.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.613 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -154.6 116.33 4.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.613 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 117.699 -1.143 . . . . 0.0 108.124 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mmm-85 -122.15 -37.22 2.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.834 1.334 . . . . 0.0 110.32 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -19.32 34.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 20.75 11.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 37.77 81.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.475 0.178 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -80.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.803 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.434 ' CA ' ' HE2' ' A' ' 4' ' ' LYS . 48.4 t 61.52 110.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' HE2' ' CA ' ' A' ' 3' ' ' SER . 0.0 OUTLIER -124.22 160.29 53.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -58.78 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 163.59 -35.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -122.23 163.06 34.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -33.02 4.82 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.504 1.791 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.99 66.69 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -130.1 -44.4 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -120.47 171.38 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 11' ' ' ASP . . . 66.85 154.33 0.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.0 -171.66 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.515 1.798 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.53 26.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -120.55 -23.47 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -111.39 -33.54 6.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -41.02 44.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.52 -45.29 89.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -23.19 56.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -93.0 -12.68 30.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 -34.18 10.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -37.85 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.002 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.77 -12.01 60.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD23 HG13 ' A' ' 28' ' ' ILE . 0.4 OUTLIER -73.38 -17.89 61.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -75.69 -25.99 57.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -99.29 -22.9 15.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.587 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -88.03 -15.38 36.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 31' ' ' ALA . 3.6 mm -90.75 -13.25 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.42 -20.12 6.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -90.17 -22.84 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.674 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -79.49 -96.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.674 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 117.685 -1.15 . . . . 0.0 108.12 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -129.96 -44.17 1.19 Allowed 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 124.897 1.373 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.96 -20.21 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -117.42 18.33 14.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.352 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 35' ' ' ARG . 5.1 m-85 37.41 84.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.521 0.2 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.46 2.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.71 162.33 2.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.72 90.11 25.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -105.1 135.12 47.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -148.92 131.64 7.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -2.81 13.03 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.48 -68.32 0.5 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.03 -54.0 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 0.804 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.9 150.93 43.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 66.59 86.78 0.13 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.24 21.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.71 76.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -81.56 -16.29 52.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.86 -45.81 13.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.67 -48.43 29.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.62 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.33 -21.7 50.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -94.95 -11.81 27.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.14 -28.74 12.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.998 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.24 -33.16 33.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.59 -22.74 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.987 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.8 -13.77 37.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.782 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.76 -58.54 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -62.72 -24.53 67.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.4 ' CD2' HG12 ' A' ' 28' ' ' ILE . 2.9 t80 -81.14 -37.42 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.555 HG23 ' HB3' ' A' ' 31' ' ' ALA . 24.6 mm -84.65 -6.46 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -57.91 -28.78 64.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.855 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.01 -16.84 57.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.987 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -86.2 60.74 6.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.664 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.696 -1.145 . . . . 0.0 108.136 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' NH2 . 6.4 mmm-85 -130.61 -42.85 1.14 Allowed 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 124.883 1.365 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.07 -20.95 1.61 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.987 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -87.36 16.74 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.563 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 6.8 m-85 -160.85 -59.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.413 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 5.3 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.473 0.177 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' TYR . 18.3 Cg_endo -74.98 -179.94 5.48 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.94 157.65 15.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.71 158.01 43.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -44.37 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.459 1.768 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.17 90.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -147.64 156.62 45.08 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.347 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 61.15 5.59 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.538 1.809 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.19 -58.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -43.66 -46.42 7.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 0.743 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -44.47 149.27 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -159.62 162.97 24.23 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.1 Cg_endo -75.04 -11.86 21.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.767 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.71 -33.36 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -82.39 -15.75 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -88.25 -48.15 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -24.21 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.29 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.7 OUTLIER -58.42 -21.72 51.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.5 t80 -94.78 -11.93 28.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.04 -28.62 12.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -81.36 -33.3 32.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -22.77 35.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.52 -13.86 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.78 ' N ' HD13 ' A' ' 24' ' ' LEU . 6.1 tpt180 -82.7 -61.85 1.77 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -24.37 57.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.97 -40.82 21.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.469 HG13 ' CD2' ' A' ' 24' ' ' LEU . 24.5 mm -84.19 -6.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -60.41 -15.84 30.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -101.34 -17.28 16.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.966 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -93.78 52.95 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.658 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.618 0 CA-C-O 117.737 -1.125 . . . . 0.0 108.188 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.2 mtp180 -141.69 -46.12 0.36 Allowed 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 124.826 1.329 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.88 -23.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.966 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.33 27.7 1.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -162.81 -54.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.506 0.193 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 171.45 18.29 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -41.85 128.49 3.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -75.37 -48.45 4.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.1 Cg_endo -75.04 -21.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.451 1.764 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 166.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.7 t30 41.47 87.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 139.93 24.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.93 64.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -104.71 59.16 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 110.328 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 2.0 m-20 43.46 84.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 179.13 73.96 0.15 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -9.92 20.87 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.702 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -73.22 -21.11 60.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -79.09 -21.85 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.72 -33.82 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -17.49 47.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -71.45 -49.11 44.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -58.39 -21.6 50.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.4 OUTLIER -94.98 -11.94 27.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.876 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -99.96 -28.85 12.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 t -81.18 -33.23 33.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.54 -22.82 34.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.54 -13.82 35.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.344 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.3 tpt180 -82.34 -62.39 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -24.87 58.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.574 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.74 -40.28 22.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.421 HG13 ' CD2' ' A' ' 24' ' ' LEU . 32.0 mm -85.34 -6.97 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 25' ' ' ARG . 18.0 t30 -60.17 -16.15 30.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -99.75 -17.29 17.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' HA ' ' HB2' ' A' ' 34' ' ' GLN . . . -112.66 31.21 6.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.575 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.16 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -39.59 5.92 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 124.821 1.326 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 31' ' ' ALA . 1.7 mt-30 -50.85 -42.66 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -92.51 23.79 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 52.58 57.86 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.466 0.174 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 95.08 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.98 86.6 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -141.85 154.79 65.95 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -61.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 59.57 91.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -131.12 92.22 33.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.54 58.02 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -136.24 72.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 110.31 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.0 t0 178.38 161.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.11 158.29 58.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.696 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.95 169.38 22.73 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 84.05 -50.66 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -82.67 -8.66 59.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.471 ' OD1' ' HA ' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -94.91 -27.97 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -64.11 -21.46 66.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.357 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.81 -49.1 77.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -58.33 -21.23 48.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -95.28 -12.0 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.872 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.19 -28.75 12.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.21 -32.97 33.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.8 -22.73 34.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.0 -13.51 36.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.771 ' N ' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -84.52 -59.24 2.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -23.62 62.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.156 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -83.25 -41.69 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 31' ' ' ALA . 34.0 mm -83.11 -7.43 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 25' ' ' ARG . 47.5 t-20 -59.98 -16.42 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -99.95 -17.76 17.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HB3' HG23 ' A' ' 28' ' ' ILE . . . -94.86 49.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.414 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.631 0 CA-C-O 117.717 -1.135 . . . . 0.0 108.107 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -48.14 -42.73 30.15 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 124.857 1.348 . . . . 0.0 110.298 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -40.45 -38.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -121.24 30.08 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 53.47 105.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.568 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.483 0.182 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.17 39.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 m -97.79 160.59 14.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -162.84 93.72 1.19 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.66 20.59 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.94 140.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.51 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 t-20 -68.01 -51.94 25.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -75.0 -173.34 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.536 1.809 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.99 64.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -103.75 -59.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 110.344 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -155.1 121.88 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.99 156.13 1.95 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.61 21.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.91 -31.9 73.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -80.84 -17.8 49.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -85.48 -49.85 7.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.42 -24.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -48.62 80.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -58.39 -21.37 50.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.23 -11.73 27.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.894 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.2 -28.86 12.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.32 -32.97 32.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.82 -22.26 34.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.003 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.9 -13.65 36.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.37 -58.57 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -22.6 62.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.614 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.33 -43.78 15.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 24' ' ' LEU . 26.2 mm -78.17 -15.23 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -57.35 -18.18 15.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -91.42 5.04 50.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.646 ' O ' HB22 ' A' ' 32' ' ' AIB . . . -93.41 42.6 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.646 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.158 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.78 -42.22 2.42 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 124.84 1.338 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -56.54 -42.02 77.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -96.12 26.62 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 51.29 101.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.477 0.18 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -66.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -165.83 76.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -68.8 142.32 93.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -163.77 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.446 1.761 . . . . 0.0 110.966 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -118.77 135.95 54.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -67.5 113.1 12.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -53.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.563 1.823 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.15 57.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -133.43 62.3 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 110.294 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.99 139.16 53.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.47 159.37 2.08 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.696 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.03 162.5 36.96 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.65 -51.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.85 -5.39 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -104.13 -24.16 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -58.97 -17.89 28.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.42 78.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 mmt-85 -58.38 -21.69 51.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -94.97 -11.96 27.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.862 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.87 -28.57 13.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -34.15 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.64 -23.42 36.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.7 -14.28 30.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -85.42 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -61.18 -20.37 62.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.644 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD2' HG12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -88.08 -42.19 12.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.956 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.439 HG12 ' CD2' ' A' ' 27' ' ' TYR . 34.8 mm -83.08 -7.01 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -55.56 -19.52 10.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.941 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -78.81 -18.61 53.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.524 ' O ' HB22 ' A' ' 32' ' ' AIB . . . -108.64 61.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.524 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.611 0 CA-C-O 117.761 -1.114 . . . . 0.0 108.137 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -73.15 -46.81 48.77 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 124.802 1.313 . . . . 0.0 110.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -44.21 -50.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -95.01 29.93 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 61.63 108.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.544 0.212 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.38 -70.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.8 157.51 0.16 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 119.87 5.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -149.88 159.89 44.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 172.95 160.68 0.28 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 160.88 39.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.76 -69.72 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 39.25 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.37 94.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.14 154.89 6.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -12.17 21.48 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.485 1.781 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -29.83 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -82.44 -16.56 48.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -88.36 -24.87 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.58 -23.77 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.97 77.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -21.4 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -95.16 -11.83 27.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.882 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.08 -28.78 12.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 111.014 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.25 -33.17 32.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.6 -22.84 34.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.32 -13.9 33.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.784 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -83.16 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -56.56 -24.27 45.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.621 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -82.91 -41.24 19.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.429 HG13 ' CD2' ' A' ' 24' ' ' LEU . 34.3 mm -84.93 -5.09 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 30' ' ' LEU . 29.0 p-10 -59.28 -21.2 59.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.915 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -90.19 -17.79 26.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.08 51.98 0.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.502 ' O ' ' CE2' ' A' ' 36' ' ' TYR . . . . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 117.689 -1.148 . . . . 0.0 108.086 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -48.35 -41.72 29.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 124.809 1.318 . . . . 0.0 110.281 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -56.03 -17.87 8.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.564 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -89.0 18.61 4.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 35' ' ' ARG . 6.5 m-85 -160.4 -49.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.519 0.2 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 92.01 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.28 75.37 1.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.84 154.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.8 30.58 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.78 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.07 141.0 48.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.78 146.1 82.08 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 141.07 26.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.27 68.07 0.22 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.35 69.96 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 110.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.606 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 33.9 m-20 -72.64 148.93 44.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.606 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 169.82 161.9 0.2 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.676 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.02 167.6 26.67 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.86 -51.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -85.27 -6.1 59.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.252 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.97 -25.45 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -65.21 -46.8 79.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 -47.79 84.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -23.63 57.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -92.33 -12.73 31.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.44 -28.87 12.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.08 -35.3 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.29 -26.86 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.98 -15.23 62.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.699 ' N ' HD13 ' A' ' 24' ' ' LEU . 14.4 mtt-85 -82.61 -63.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -22.92 23.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.614 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -83.76 -43.02 15.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.587 HG23 ' HB3' ' A' ' 31' ' ' ALA . 25.8 mm -82.37 -8.24 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 5.1 t-20 -58.85 -16.98 19.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.796 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -91.38 -16.3 27.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.587 ' HB3' HG23 ' A' ' 28' ' ' ILE . . . -90.2 50.77 1.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.492 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.59 0 CA-C-O 117.743 -1.123 . . . . 0.0 108.142 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -47.72 -45.86 29.17 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 124.856 1.348 . . . . 0.0 110.275 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 35' ' ' ARG . 7.6 tp60 -76.67 151.16 36.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER 77.0 27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.344 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 56.26 106.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.565 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.526 0.203 . . . . 0.0 110.969 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.51 4.22 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -109.42 117.39 33.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.989 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.5 OUTLIER 68.63 93.52 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 7' ' ' ASN . 14.7 p-10 -122.55 148.66 44.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.1 m120 -40.46 100.74 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 58.29 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.61 -44.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.95 56.49 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 2.7 p-10 -134.63 -56.04 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 177.56 154.31 0.46 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.672 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 Cg_endo -75.05 170.9 19.38 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.7 -51.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -86.32 -4.99 59.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -105.73 -24.26 12.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -92.04 -38.5 12.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.98 75.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -58.36 -22.11 52.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' N ' ' HG3' ' A' ' 19' ' ' ARG . 4.3 t80 -94.38 -11.96 28.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.61 12.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.9 t -81.25 -33.21 32.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.53 -22.95 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.5 -13.8 34.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.781 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.06 -60.32 2.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -60.38 -22.28 63.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.569 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -82.46 -41.85 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.2 mm -78.45 -17.27 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -55.04 -20.64 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mt -89.75 15.47 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.521 ' HB1' ' CD ' ' A' ' 35' ' ' ARG . . . -94.61 17.39 13.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.113 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.46 -39.22 3.04 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 124.869 1.356 . . . . 0.0 110.252 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.86 -44.87 91.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.521 ' CD ' ' HB1' ' A' ' 31' ' ' ALA . 0.2 OUTLIER -93.98 30.39 1.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.81 -51.36 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.454 0.169 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 p -142.81 170.73 15.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.09 155.7 40.98 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 125.78 9.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.454 1.765 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 10.2 t0 62.07 118.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.3 m-20 162.73 -51.99 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.4 Cg_endo -74.99 -177.41 3.44 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 111.049 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.11 58.96 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.118 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -133.58 80.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.783 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 57.56 106.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.84 84.08 63.98 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.696 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.97 -179.93 5.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.533 1.807 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.89 -50.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.66 -7.81 59.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -97.71 -25.54 15.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -66.64 -24.14 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.288 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -46.07 91.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.43 -23.57 57.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -92.34 -12.9 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.579 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -100.39 -28.8 12.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.83 -35.31 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -65.95 -15.16 62.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.679 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.94 -59.8 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.275 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -21.82 42.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.578 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.89 -45.23 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.471 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 35.4 mm -79.24 -11.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 25' ' ' ARG . 5.7 t30 -49.49 -38.7 31.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.911 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -53.22 -20.93 4.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.682 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -79.75 -139.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.682 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 117.758 -1.115 . . . . 0.0 108.137 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -81.25 -46.05 15.36 Favored 'General case' 0 N--CA 1.453 -0.294 0 O-C-N 124.82 1.325 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -48.54 -42.41 33.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -94.6 21.48 7.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 56.83 108.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.589 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.186 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -88.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.546 ' HB2' ' CE1' ' A' ' 1' ' ' TYR . 6.3 m 39.86 80.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.82 113.52 18.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.09 2.75 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.475 1.776 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.43 126.47 33.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 52.4 94.98 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -56.6 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.548 1.815 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.65 59.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.23 -55.17 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 0.737 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -135.05 103.75 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.93 156.78 1.69 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.682 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -74.96 169.93 21.54 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.62 -51.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.23 -5.1 59.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -105.06 -22.33 13.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.506 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -99.07 -36.6 9.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 14' ' ' ALA . . . -64.67 -48.02 76.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.4 -24.05 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.3 t80 -91.74 -13.11 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.27 -28.82 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.58 -35.36 53.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.66 -25.3 38.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.985 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -68.45 -14.99 63.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.66 ' N ' HD13 ' A' ' 24' ' ' LEU . 23.0 mtp180 -83.47 -60.18 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -23.43 53.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -42.43 16.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.499 ' CG1' HD22 ' A' ' 24' ' ' LEU . 26.1 mm -83.32 -7.41 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 25' ' ' ARG . 16.6 t30 -59.12 -16.74 21.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -94.6 -17.36 22.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.44 54.31 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.735 -1.126 . . . . 0.0 108.087 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' NH2 . 1.5 ttt-85 -49.56 -25.33 2.66 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 124.793 1.308 . . . . 0.0 110.333 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.87 -20.84 6.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' C ' ' CD1' ' A' ' 36' ' ' TYR . 13.6 mtt85 -91.77 20.98 5.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 35' ' ' ARG . 3.1 m-85 -159.22 -59.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.427 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.489 0.185 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -179.22 4.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 t -147.05 -58.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 40.56 89.3 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.98 5.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 59.78 158.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -174.63 132.64 0.5 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.67 4.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.483 1.781 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.49 -58.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 67.02 57.94 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.768 . . . . 0.0 110.347 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 p30 179.04 87.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -175.71 157.8 1.86 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.458 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.3 Cg_endo -75.01 -169.72 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.568 1.825 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.58 26.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 13' ' ' PRO . 5.9 tt0 -120.56 -23.6 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -111.71 -33.46 6.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.35 -14.63 40.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.83 -48.59 63.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -58.39 -21.15 49.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -95.5 -11.89 26.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.869 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.06 -28.5 13.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.45 -33.37 32.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.978 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.52 -22.39 35.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.93 -13.67 37.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.777 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -84.57 -58.92 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.74 -23.31 63.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.581 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -82.88 -42.74 17.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.98 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 28' ' ' ILE . 27.7 mm -79.17 -17.55 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -52.47 -26.08 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -13.69 53.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.25 -97.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 117.745 -1.122 . . . . 0.0 108.146 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.39 -50.33 0.12 Allowed 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 124.834 1.334 . . . . 0.0 110.313 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -89.71 -22.25 22.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.9 32.72 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -161.03 -49.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.533 0.206 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.27 21.27 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.94 -164.33 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 -179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -129.31 161.17 60.24 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 86.92 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.01 138.84 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.3 p-10 -130.96 82.67 63.36 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -63.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.89 -60.02 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 53.7 65.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' PRO . 0.2 OUTLIER 54.97 171.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . -37.71 98.29 0.16 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.96 99.55 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . 176.07 -40.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -78.85 -16.21 57.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 -45.0 12.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -15.69 47.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.79 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -58.41 -21.84 52.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -94.63 -12.03 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.859 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -99.92 -28.11 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -34.45 32.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.991 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.43 -23.09 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.99 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.82 -13.72 36.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -84.45 -59.92 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.59 -23.42 58.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.651 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.5 -41.99 17.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.3 mm -82.95 -7.45 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' ARG . 34.5 t-20 -59.97 -16.24 28.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.873 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -98.2 -17.26 19.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' O ' HB22 ' A' ' 32' ' ' AIB . . . -111.9 54.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.555 HB21 ' CD1' ' A' ' 36' ' ' TYR . . . . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 117.758 -1.115 . . . . 0.0 108.107 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' AIB . 0.0 OUTLIER -37.87 -31.29 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 O-C-N 124.779 1.299 . . . . 0.0 110.256 -179.907 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' AIB . 8.9 mm-40 -41.43 -67.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.592 ' C ' ' CD1' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -117.67 17.72 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 35' ' ' ARG . 3.8 m-85 -160.52 75.76 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.472 0.177 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 168.78 24.07 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 p 177.93 46.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.954 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -128.15 79.94 73.07 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 147.64 34.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -142.1 173.01 11.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -91.51 146.82 34.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 137.06 21.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.7 71.08 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -143.96 90.62 2.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 0.797 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.92 109.87 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -174.13 164.44 2.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -75.0 -13.41 21.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.748 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . -73.58 -15.87 61.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -78.56 -26.0 45.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.444 ' OD2' ' HA ' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -99.35 -46.75 5.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -12.48 56.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -55.55 -48.8 74.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -58.44 -23.85 58.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.97 -13.01 31.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.44 -28.71 12.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -77.71 -35.34 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -26.27 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.93 -15.06 63.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.665 ' N ' HD13 ' A' ' 24' ' ' LEU . 26.8 mtt85 -83.39 -60.6 2.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.259 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.72 -23.2 50.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.612 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -83.84 -42.62 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CG1' HD22 ' A' ' 24' ' ' LEU . 25.7 mm -82.64 -8.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 35.6 t30 -57.0 -23.71 48.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.86 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -80.21 -16.45 54.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.857 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -87.03 63.14 7.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.668 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.614 0 CA-C-O 117.722 -1.132 . . . . 0.0 108.099 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.2 mmm180 -125.12 -40.44 2.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 124.837 1.336 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp60 -50.77 -21.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.857 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -88.07 18.82 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 5.2 m-85 -160.34 -55.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.491 0.186 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -62.09 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.541 1.811 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 37.3 t -174.67 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 5.8 tttp 165.12 -53.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 18.2 Cg_endo -75.0 83.95 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.481 1.78 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -177.08 -56.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 41.85 88.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -42.93 0.43 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.59 57.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.02 70.57 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 110.325 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' PRO . 1.8 m-20 -89.68 128.87 36.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . -37.66 98.31 0.16 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.03 99.52 1.26 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.779 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . 176.09 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -79.25 -15.76 57.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 5.0 m-20 -94.71 -29.46 14.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.545 HD13 ' HD2' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -81.72 -36.68 28.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.86 78.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 16' ' ' ASP . 9.4 ptp180 -58.37 -24.35 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.545 ' HD2' HD13 ' A' ' 17' ' ' LEU . 4.1 t80 -91.44 -13.3 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -99.94 -29.04 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.43 -35.54 53.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.65 -24.2 39.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -69.87 -15.06 63.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' HD13 ' A' ' 24' ' ' LEU . 9.5 mmt85 -83.49 -59.83 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.49 -23.07 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -42.92 16.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' CG1' HD22 ' A' ' 24' ' ' LEU . 22.8 mm -81.65 -9.54 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 25' ' ' ARG . 49.5 t30 -56.38 -18.81 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.704 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -85.19 -17.45 37.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.623 ' O ' HB23 ' A' ' 32' ' ' AIB . . . -139.65 79.45 1.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.623 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 117.723 -1.132 . . . . 0.0 108.158 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -159.92 -45.3 0.05 Allowed 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 124.84 1.337 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -51.38 -21.52 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . 2.8 ttp85 -91.01 20.97 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.54 ' CE1' ' HB3' ' A' ' 35' ' ' ARG . 3.7 m-85 -158.81 -59.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.507 0.194 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 177.6 8.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.772 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.42 -60.33 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.8 tttt -51.75 143.15 22.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -75.04 113.73 3.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -80.47 143.97 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.511 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 1.6 t30 -75.05 -51.76 3.44 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.812 ' HG2' ' HB2' ' A' ' 12' ' ' ALA . 18.5 Cg_endo -74.97 175.45 11.21 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.7 -45.17 0.19 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.12 -55.98 5.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -95.63 63.52 2.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.812 ' HB2' ' HG2' ' A' ' 8' ' ' PRO . . . -172.72 72.84 0.42 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.04 100.98 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.483 1.78 . . . . 0.0 110.992 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.654 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 176.33 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -78.44 -17.52 56.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -87.86 -33.25 18.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.22 -19.63 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 14' ' ' ALA . . . -65.74 -49.53 68.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.3 ptt85 -58.41 -21.18 49.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.45 -11.8 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.858 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.37 -28.84 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -81.14 -32.76 33.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.0 -22.89 33.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.992 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.12 -13.42 36.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.765 ' N ' HD13 ' A' ' 24' ' ' LEU . 5.4 ttt85 -85.49 -59.33 2.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -58.78 -22.78 58.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -83.67 -43.84 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 28' ' ' ILE . 31.3 mm -77.7 -19.79 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ARG . 22.7 t-20 -53.84 -21.83 8.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.4 mt -69.58 -14.6 62.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -55.49 -97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.573 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 117.727 -1.13 . . . . 0.0 108.117 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' C ' ' CD ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -122.82 -44.98 2.18 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.817 1.323 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.44 -41.11 69.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.81 29.6 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.529 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 54.27 106.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.495 0.188 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 131.37 14.18 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.71 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.65 156.5 32.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -167.17 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.507 1.793 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -168.01 111.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -148.59 89.83 4.99 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -57.57 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.49 57.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -176.1 67.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t70 67.45 97.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -121.27 162.24 36.8 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.691 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.5 Cg_endo -74.95 167.89 26.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.64 -51.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -85.45 -5.86 59.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -102.82 -24.86 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.77 -15.83 59.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.45 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -21.76 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -94.7 -11.98 28.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.88 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -100.05 -28.74 12.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -33.13 32.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.73 -22.56 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.62 -13.83 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.788 ' N ' HD13 ' A' ' 24' ' ' LEU . 2.6 tpt180 -82.74 -61.18 1.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -58.74 -24.12 61.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.565 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -81.95 -40.78 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 24' ' ' LEU . 20.9 mm -83.23 -8.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -54.62 -30.57 55.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.904 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -71.04 -16.08 62.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.011 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -88.46 60.8 5.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.668 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 117.749 -1.119 . . . . 0.0 108.091 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' TYR . 3.5 mmm-85 -134.54 -44.93 0.75 Allowed 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 124.837 1.336 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -46.72 -24.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.011 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.27 31.61 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -154.26 -56.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.426 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.48 0.181 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -171.26 0.93 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -77.84 159.97 28.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 53.05 88.84 0.11 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.248 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -36.52 2.49 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.504 1.792 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -56.33 -56.73 17.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -127.44 97.66 30.63 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -55.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.516 1.798 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.22 67.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.8 -59.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -146.54 143.86 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -157.1 84.97 2.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -13.25 21.56 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.91 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -83.33 -10.8 58.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -86.45 -43.64 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -44.22 -52.74 7.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.37 86.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -58.38 -25.38 61.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.682 ' O ' HD23 ' A' ' 24' ' ' LEU . 3.8 t80 -89.43 -14.62 35.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.2 -33.24 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -66.38 -39.51 89.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.0 -14.66 58.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.84 -10.95 59.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -94.46 -22.6 18.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.31 -27.86 16.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.618 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -84.83 -31.92 23.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' LEU . 98.9 mt -79.5 -13.15 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.59 -18.6 12.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 30' ' ' LEU . 13.5 mt -95.82 -21.03 18.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.688 ' O ' HB13 ' A' ' 32' ' ' AIB . . . -85.31 -97.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.688 HB13 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 117.709 -1.139 . . . . 0.0 108.11 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -119.09 -56.67 2.08 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 124.846 1.341 . . . . 0.0 110.298 -179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -38.75 -29.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' C ' ' A' ' 36' ' ' TYR . 12.9 mtt180 -113.46 58.79 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.588 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER -24.63 102.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.574 ' O ' ' CG ' ' A' ' 1' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.543 0.211 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 167.19 27.52 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -154.6 84.58 1.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 mttt 56.6 88.96 0.11 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -101.54 -55.48 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 62.58 132.67 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 78.16 2.96 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -131.31 -71.32 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' O ' ' CG ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER 37.5 90.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.316 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 174.8 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.65 157.41 1.47 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -13.38 21.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.8 77.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -80.69 -16.97 52.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.69 -47.59 10.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.75 -26.83 66.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.14 -48.66 80.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -58.38 -21.59 50.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -95.04 -11.53 28.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.873 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.31 -29.06 12.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -32.96 33.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -22.28 34.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -63.52 -13.32 39.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.769 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -87.67 -55.2 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.082 . . . . 0.0 110.293 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.02 64.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CD1' ' C ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -85.19 -45.58 11.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.49 HG13 HD22 ' A' ' 24' ' ' LEU . 22.8 mm -74.64 -17.51 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -53.21 -20.61 4.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mt -91.87 -23.95 19.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.87 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -106.91 50.76 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.595 0 CA-C-O 117.767 -1.111 . . . . 0.0 108.149 -179.996 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' TYR . 10.3 mtp85 -141.1 -45.57 0.38 Allowed 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 124.846 1.341 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.77 -24.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.87 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.07 30.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.092 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -152.16 -56.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.448 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.51 0.195 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 160.4 40.26 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -152.18 -61.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.971 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 5' ' ' PRO . 14.4 tptt 71.29 118.39 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.431 ' N ' ' HD2' ' A' ' 4' ' ' LYS . 18.3 Cg_endo -74.98 -162.55 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.448 1.762 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -154.91 145.8 22.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.505 ' N ' ' CD ' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -74.55 -51.84 4.02 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 7' ' ' ASN . 18.2 Cg_endo -75.01 128.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.768 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 10' ' ' GLU . . . 158.22 -32.39 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 69.92 -57.2 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -175.17 -83.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 63.48 154.86 0.12 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' C ' ' N ' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.04 -171.52 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 42.57 26.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' N ' ' C ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -120.58 -23.76 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -111.12 -33.54 6.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.628 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -56.77 -32.33 65.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -21.66 50.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -94.9 -11.93 27.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.867 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -100.12 -28.49 13.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.1 t -81.1 -33.68 33.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.03 -23.2 36.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.005 HD22 ' O ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -62.87 -13.6 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.768 ' N ' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -83.88 -59.72 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -22.39 63.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.551 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -82.76 -42.31 18.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' A' ' 24' ' ' LEU . 27.3 mm -78.94 -19.47 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -55.41 -20.92 13.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.5 mt -89.44 14.73 10.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' ILE . . . -85.6 -7.79 58.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.404 ' C ' ' N ' ' A' ' 34' ' ' GLN . . . . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 117.774 -1.108 . . . . 0.0 108.094 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -43.32 -27.5 0.26 Allowed 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 124.769 1.293 . . . . 0.0 110.286 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.45 ' N ' ' HD3' ' A' ' 33' ' ' ARG . 3.9 tt0 -48.46 -62.68 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.19 9.77 29.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 0.1 OUTLIER 55.54 105.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.552 0.215 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -57.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.15 -71.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.998 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -141.81 88.63 9.39 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.69 29.34 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 t70 177.24 -54.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -157.88 98.3 1.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -45.84 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 134.24 64.07 0.07 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -50.75 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.37 -55.16 13.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.23 91.98 1.9 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.34 21.4 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.79 -34.7 78.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.65 -16.52 53.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -85.84 -48.69 8.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -29.38 70.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -47.78 83.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -58.41 -25.39 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.669 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.32 -14.83 34.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -100.16 -33.22 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.29 -39.3 89.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.17 -15.05 57.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.39 -10.54 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -94.51 -22.94 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -95.7 -24.58 16.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.576 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.75 -23.33 22.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.522 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 30.9 mm -88.44 -10.26 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 29' ' ' ASN . 16.8 t-20 -54.18 -34.0 59.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.734 ' O ' HD12 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -67.67 -15.52 63.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.014 ' HB1' ' HB2' ' A' ' 35' ' ' ARG . . . -84.99 54.62 3.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.61 HB22 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.158 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' TYR . 5.3 mmm-85 -132.9 -44.82 0.87 Allowed 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 124.828 1.33 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.44 -24.79 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 1.014 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -91.01 32.15 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CG ' ' N ' ' A' ' 37' ' ' NH2 . 0.1 OUTLIER -160.3 -56.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.956 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . 0.447 ' N ' ' CG ' ' A' ' 36' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.494 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 7.8 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.519 0.2 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 3' ' ' SER . 18.2 Cg_endo -75.07 138.28 22.65 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.477 1.778 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER 82.16 -64.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -90.78 156.72 44.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.77 5.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.494 ' HB3' ' CD2' ' A' ' 1' ' ' TYR . 25.0 p30 -115.54 176.16 5.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -58.76 161.8 7.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.68 9.48 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.32 69.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -130.07 -55.26 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.338 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.533 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 35.3 m-20 48.37 94.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 11' ' ' ASP . . . 174.06 165.43 0.32 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.679 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 18.2 Cg_endo -74.99 162.85 36.47 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 13' ' ' PRO . . . 83.75 -51.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -100.58 -25.7 14.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.36 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -92.12 -18.15 23.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.3 -47.99 74.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -25.36 61.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.678 ' O ' HD23 ' A' ' 24' ' ' LEU . 4.4 t80 -89.48 -14.61 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' CD2' HD23 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -100.19 -33.27 10.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.4 -39.56 89.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.96 -14.72 58.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -68.73 -10.91 59.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -94.33 -22.93 18.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -93.27 -27.55 16.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.616 179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.553 ' O ' HD12 ' A' ' 30' ' ' LEU . 46.2 t80 -85.77 -31.82 22.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 24' ' ' LEU . 18.2 mm -80.35 -11.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -55.73 -19.27 10.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -86.9 -19.49 28.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.153 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.043 ' N ' HD13 ' A' ' 30' ' ' LEU . . . -108.5 140.32 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' AIB . . . . . 0.439 HB23 ' O ' ' A' ' 31' ' ' ALA . . . . . . . . 0 N--CA 1.471 0.586 0 CA-C-O 117.754 -1.117 . . . . 0.0 108.125 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -39.38 5.36 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 124.807 1.317 . . . . 0.0 110.287 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -51.96 -41.59 62.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -99.52 26.75 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 43.92 91.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_