data_1x6c_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 1x6c _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 55.3 t80 -54.92 106.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 93.0 m-70 -90.9 15.88 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.506 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 82.24 -94.6 1.7 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.9 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.529 ' HE3' ' CG ' ' A' ' 10' ' ' HIS . 2.5 tpp -90.29 158.31 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.67 130.13 44.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.67 -63.86 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.34 -42.1 25.09 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.84 -52.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -46.72 -49.96 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -69.51 -43.6 72.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.5 mp -57.8 -56.15 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.71 -43.91 76.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.07 -43.73 94.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.44 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -52.12 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.56 62.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -50.31 114.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.4 m95 74.8 52.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.0 m -121.89 119.2 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 8.4 p90 -107.42 167.25 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -165.79 141.52 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.9 t -96.68 132.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH2' HG22 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -146.33 134.39 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 15.6 mt-10 -66.25 133.73 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.69 107.21 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.4 -38.22 90.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -31.74 62.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.7 95.97 45.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.44 5.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.48 -31.45 6.17 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.12 -173.46 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 64.5 m-85 -149.9 163.89 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 HG22 ' NH2' ' A' ' 34' ' ' ARG . 99.1 t -125.97 143.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' HG11 ' A' ' 44' ' ' VAL . 64.6 tp -119.61 99.91 6.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.07 121.03 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -119.21 134.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.61 126.03 32.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.06 158.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.45 23.08 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -111.6 109.99 55.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.95 173.1 15.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -93.5 -44.24 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.36 -26.81 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.67 -126.76 5.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.63 4.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.91 -1.97 38.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.2 p -109.48 152.95 43.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.85 28.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 52' ' ' PRO . 89.0 mt -78.7 126.61 30.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.01 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 87.7 t -130.06 147.79 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -124.77 117.56 24.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 92.1 m-70 -94.48 109.3 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.98 92.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -55.96 151.93 10.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.8 t -121.16 114.54 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.467 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 16.9 mtm -87.1 103.91 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 p -88.02 93.97 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.44 140.28 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.95 47.25 66.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.45 24.6 24.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -132.13 150.93 52.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 85' ' ' LEU . 35.1 m-85 -108.19 143.95 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 t -155.75 147.98 23.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 m -92.78 7.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 116.19 -0.02 20.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.12 176.16 38.71 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -29.75 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.76 144.9 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 1.4 p -132.92 -174.99 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 81' ' ' THR . 23.9 m-85 -160.97 165.02 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.07 -41.02 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -124.67 148.39 48.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 74' ' ' TYR . 2.6 mm? -55.7 -25.16 38.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -65.22 -51.88 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -65.41 -13.09 57.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 82' ' ' PHE . 9.4 tt -93.38 -54.91 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -60.3 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.4 -19.41 55.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.4 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 11.1 t60 -82.21 -54.82 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.1 m-85 -76.26 -7.27 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -64.68 -16.81 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -62.68 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 44.5 p -53.26 -23.96 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.31 -171.03 44.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.0 mt -129.33 155.5 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.749 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -116.43 129.89 56.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.96 -173.9 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.91 -24.99 16.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -7.2 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.64 59.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.63 152.78 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.36 156.65 18.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 96.6 t -130.63 154.48 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.93 141.47 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.546 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.3 mp -91.67 79.71 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -57.48 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -142.35 145.27 34.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 25.5 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.607 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.402 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.1 t80 -51.07 101.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 95.3 m-70 -90.17 -14.29 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.72 -122.24 7.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.163 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -101.14 81.64 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 tpp -97.42 148.26 23.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.941 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.69 -64.13 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.24 -35.7 14.91 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -61.12 -61.65 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -39.09 -55.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 1.6 mt-10 -44.36 -48.88 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -71.47 -41.44 69.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.609 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -58.93 -54.1 50.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.11 -43.4 82.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.92 -49.33 70.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.07 -36.66 5.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -62.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 100.8 -29.56 12.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 30' ' ' THR . 63.3 mt-10 -38.42 114.22 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 136.19 20.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 22.9 m95 74.1 52.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.7 m -122.0 120.58 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' CG ' HD21 ' A' ' 107' ' ' LEU . 4.4 p90 -107.75 166.55 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 2.1 pp -166.74 140.99 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.598 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 15.8 t -96.38 132.66 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -146.09 135.02 22.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 137.24 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 114.47 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.36 -44.25 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -33.04 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 96.2 48.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.12 -34.37 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -94.83 -176.95 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -142.72 153.12 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG23 ' NH2' ' A' ' 34' ' ' ARG . 47.2 t -114.14 145.04 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 tp -121.06 95.8 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -89.14 115.0 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG22 ' CB ' ' A' ' 31' ' ' PHE . 38.1 t -115.76 137.6 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 tp -86.11 135.4 33.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 p -100.92 161.45 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -91.12 18.07 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -108.93 106.28 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HB2' ' OG ' ' A' ' 58' ' ' SER . 18.3 Cg_endo -75.01 168.12 25.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -85.65 -45.93 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.74 -27.27 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.14 -73.22 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.24 12.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.28 38.88 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 52' ' ' PRO . 48.9 p -108.74 148.46 37.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.9 17.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.572 1.827 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.35 125.39 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -46.8 148.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.61 149.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -124.28 111.68 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 72.6 m-70 -91.73 104.02 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.74 93.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -58.03 145.88 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.59 103.61 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.9 122.85 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 t -109.29 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -128.69 143.05 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.24 36.74 53.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.19 24.83 67.62 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -125.47 142.86 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CE1' HD21 ' A' ' 85' ' ' LEU . 75.7 m-85 -108.82 139.82 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 t -156.23 151.48 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 18.3 m -94.86 6.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.45 2.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.42 177.06 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.7 -47.63 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.02 147.61 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.44 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 6.8 p -139.95 -179.12 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.0 m-85 -155.57 170.74 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -108.09 -38.51 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 m -118.34 143.85 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.43 HD21 ' CE1' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -55.89 -40.95 73.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 m -56.43 -44.95 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.25 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 tt -86.38 -46.65 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -68.22 -42.98 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.37 -6.21 41.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 28.2 t60 -92.16 -48.13 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 43.7 m-85 -84.31 -7.19 59.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -67.26 -11.4 57.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -62.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 50.9 p -52.14 -46.47 65.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.07 174.7 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 mt -114.06 143.78 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 21.2 tt0 -106.11 117.96 35.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -174.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -102.73 5.35 38.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -102.38 -4.31 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.33 -20.83 43.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.75 155.07 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.2 m-85 -112.13 149.03 32.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 37.3 t -118.62 147.56 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -131.43 145.78 51.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.478 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.5 mp -94.94 64.79 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -47.17 -34.14 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -169.42 160.13 7.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.94 178.34 7.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 6.6 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -54.93 103.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 92.4 m-70 -83.96 -33.97 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.44 -141.1 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.28 91.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.3 tpp -111.36 154.57 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLN . 3.3 m -99.12 124.57 44.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.07 -64.4 0.8 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.71 -34.53 7.02 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.8 -65.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.92 -56.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 3.0 mt-10 -44.72 -48.07 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -72.38 -42.35 65.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -57.44 -55.95 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.0 mt -54.84 -38.63 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -69.55 -37.41 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.79 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -56.07 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -11.24 72.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 30' ' ' THR . 1.8 mp0 -56.4 119.54 29.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.05 134.31 17.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.467 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 23.9 m95 74.04 42.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 24.8 m -106.34 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 8.3 p90 -107.04 167.34 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 10' ' ' HIS . 1.5 pp -166.54 136.03 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.508 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.2 t -97.1 134.13 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -146.05 160.27 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -80.56 130.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.18 138.88 47.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 12' ' ' HIS . 85.3 mt -95.73 -43.93 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -5.65 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -144.14 107.0 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 118.63 -40.9 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.85 177.65 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 81.7 m-85 -143.57 162.05 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.52 143.41 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 tp -121.6 92.32 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -82.82 117.6 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' THR . 54.1 t -118.52 132.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.9 tp -82.87 131.65 35.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 p -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.81 16.69 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -108.56 107.64 60.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.46 14.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 61' ' ' ARG . 15.6 mtpt -89.93 -45.64 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -117.07 -27.16 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.79 -122.89 4.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.48 6.44 41.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -114.39 153.67 46.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.958 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.5 mt -79.38 122.79 26.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -40.87 150.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG12 ' NE2' ' A' ' 64' ' ' HIS . 93.7 t -114.3 145.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -125.95 119.26 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 62' ' ' VAL . 45.0 m-70 -100.58 110.93 23.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 92.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.3 150.26 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.1 t -121.32 133.74 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.444 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 16.3 mtm -102.56 111.67 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.6 p -95.84 93.3 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.31 129.17 51.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.4 38.03 56.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.5 21.17 70.45 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 130.71 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CE2' HD22 ' A' ' 85' ' ' LEU . 22.9 m-85 -96.9 137.16 36.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 t -155.5 151.06 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -94.43 7.23 6.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.444 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 116.21 12.4 9.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.88 177.08 19.11 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -53.18 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.56 143.6 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 2.6 p -132.84 -174.46 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 81' ' ' THR . 9.6 m-85 -157.79 144.12 17.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.88 -31.61 35.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -133.59 159.93 38.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -64.16 -25.95 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.7 m -65.3 -51.21 62.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -12.5 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.537 ' CD1' ' CD2' ' A' ' 82' ' ' PHE . 9.5 tt -91.77 -51.02 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.626 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 55.2 t -65.01 -52.36 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.36 -13.01 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -86.1 -50.99 6.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -83.8 -6.49 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' CD ' HG11 ' A' ' 89' ' ' VAL . 1.2 mtpp -67.68 -8.74 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -62.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -50.98 -51.98 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 175.56 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -119.49 154.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.766 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -117.5 120.84 39.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.77 -174.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.13 -18.02 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -77.61 -1.59 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.09 14.96 58.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.49 154.68 21.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.71 147.57 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.466 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t -122.61 159.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -142.77 150.44 40.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.522 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -99.92 94.62 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 40.0 mtp180 -76.37 -57.59 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -140.71 143.49 32.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.01 168.43 24.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 31.8 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -51.24 101.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.3 m-70 -81.12 -23.93 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.76 -113.98 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.32 92.28 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.736 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 45.7 ttm -115.44 141.39 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 128.24 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.02 -64.15 2.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.45 -36.02 22.78 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.01 -59.62 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.63 -48.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -52.12 36.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 m -67.97 -41.27 82.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 mp -59.29 -56.68 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.05 -42.71 77.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.7 mt-30 -65.6 -41.21 93.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.12 -36.06 60.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -53.67 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.73 -32.93 5.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLY . 73.7 mt-10 -38.49 114.94 0.84 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 139.95 24.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m95 73.7 46.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 27.9 m -114.1 116.98 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.602 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 6.7 p90 -107.31 165.79 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -166.62 138.69 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 7.8 t -96.88 134.73 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -146.22 145.45 30.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.91 125.53 29.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 135.75 57.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.76 -41.32 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -74.38 -23.23 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -125.81 101.95 29.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.53 -32.14 3.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -87.8 175.06 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 13.1 m-85 -139.28 158.81 43.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 45' ' ' LEU . 67.4 t -122.95 142.56 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 44' ' ' VAL . 58.9 tp -119.43 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -90.14 113.6 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' THR . 62.9 t -114.03 125.99 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.42 122.94 25.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.95 165.53 13.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -96.33 24.72 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.67 109.64 55.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.06 169.49 22.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -89.39 -44.75 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.02 -27.06 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.93 -125.39 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.82 5.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.34 4.14 55.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.4 p -113.47 153.1 45.77 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -75.03 139.88 24.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 52' ' ' PRO . 85.5 mt -77.88 125.89 30.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -45.2 160.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.15 147.14 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -120.41 111.3 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -92.87 105.9 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 ' CD1' HG23 ' A' ' 63' ' ' THR . 2.6 mp -96.99 98.7 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -62.19 140.14 58.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.1 t -112.55 105.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.406 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 19.6 mtm -74.52 122.95 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 t -109.22 93.53 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.05 143.86 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.91 32.34 26.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.16 24.53 74.7 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -125.13 142.35 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' HD21 ' A' ' 85' ' ' LEU . 35.6 m-85 -103.85 138.35 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -156.04 147.22 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.66 6.62 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.406 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.01 23.66 4.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.72 176.83 16.44 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 150.44 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.3 p -141.13 -179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CG ' ' C ' ' A' ' 81' ' ' THR . 30.8 m-85 -154.71 164.89 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -41.15 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 m -124.11 144.66 49.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 1.8 mm? -52.22 -29.1 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -62.08 -52.84 62.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -16.33 61.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -88.03 -49.8 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.602 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 42.0 t -67.36 -38.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.29 -6.35 42.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -91.97 -54.48 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.569 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.417 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 81.3 m-85 -79.2 -7.0 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' CD ' HG11 ' A' ' 89' ' ' VAL . 12.9 mtpt -64.52 -12.07 40.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -62.75 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.1 p -52.75 -28.47 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.79 -174.43 54.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -126.39 147.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.85 132.42 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.11 174.33 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.3 -11.74 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.9 p -92.54 28.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.37 17.17 24.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.59 154.4 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.39 149.39 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 94.5 t -126.91 151.24 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -136.75 149.86 48.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -98.14 92.8 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.87 141.82 31.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 29.2 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.618 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.458 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 73.2 t80 -57.14 99.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 85.4 m-70 -72.39 -19.87 61.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 106.62 -125.3 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' A' ' 35' ' ' GLU . 1.8 m80 -98.42 87.13 3.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.7 tpp -105.29 151.37 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -87.71 139.14 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' NH1' ' A' ' 34' ' ' ARG . . . -49.96 -64.23 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.54 -30.46 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -72.23 -64.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.07 -44.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.43 -50.98 70.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -67.42 -40.54 85.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.607 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 mp -59.33 -57.59 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.52 -42.73 67.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.0 mt-30 -68.55 -34.87 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -60.2 -30.76 69.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -54.01 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.67 -24.43 26.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -44.96 114.7 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.97 133.05 16.16 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.8 m95 76.3 45.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 91.8 m -112.62 119.04 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.641 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 9.2 p90 -107.29 167.24 10.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -164.32 139.84 5.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.618 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 8.5 t -96.66 128.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' NH1' ' N ' ' A' ' 15' ' ' GLY . 3.6 ptt180 -146.53 142.4 27.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 1.2 tt0 -72.64 149.17 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 123.51 30.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.31 -30.58 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.43 -34.69 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -116.73 100.27 53.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.5 -34.99 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.84 -176.32 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -148.63 154.09 39.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.52 147.73 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 tp -124.33 95.71 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -88.61 117.97 27.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 105' ' ' VAL . 74.2 t -116.37 134.21 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' TRP . 16.8 tp -85.28 124.82 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.14 160.54 15.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -91.98 23.82 3.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.32 110.76 50.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 171.37 18.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -92.03 -44.32 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.08 -27.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.94 -131.2 6.53 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 111.66 3.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.29 -19.05 10.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -99.65 153.79 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 144.39 30.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD23 ' CA ' ' A' ' 52' ' ' PRO . 38.4 mt -76.68 130.67 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -46.61 168.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.6 t -127.97 151.86 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -129.02 112.33 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -90.55 104.98 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.62 92.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.73 147.24 23.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.06 116.28 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.405 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 11.3 mtm -85.61 104.11 15.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.16 95.16 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.04 135.62 50.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.67 41.22 89.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.55 14.21 48.65 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -117.03 149.86 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.8 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -113.14 140.8 47.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.72 150.45 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -92.28 4.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 115.52 29.59 2.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.21 172.88 19.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -37.68 88.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.39 141.95 58.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.0 p -136.8 -178.41 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 29.2 m-85 -154.86 159.74 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -88.21 -43.05 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -123.69 161.2 25.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 m -66.88 -46.07 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -11.21 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 8.2 tt -94.61 -51.51 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.641 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 55.7 t -63.47 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.64 -12.87 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -86.32 -51.7 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.21 -6.44 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' CD ' HG11 ' A' ' 89' ' ' VAL . 23.2 mtpt -67.25 -9.39 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.7 p -50.97 -56.23 13.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.11 178.33 24.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' VAL . 6.6 mt -124.46 136.09 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.25 129.07 42.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -80.33 168.61 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.6 -12.42 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 p -84.44 -17.34 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.92 -19.83 24.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 150.62 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -101.81 159.5 15.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 89.6 t -136.39 149.23 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -135.26 153.3 51.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD21 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -85.63 -50.36 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -143.14 140.95 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.0 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.5 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -57.06 102.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 96.7 m-70 -79.49 -23.93 42.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.05 -113.2 4.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -102.77 80.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.4 tpp -106.38 145.11 32.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.66 132.16 34.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 34' ' ' ARG . . . -43.56 -61.24 2.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.38 -37.35 11.98 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.459 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.86 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.57 -49.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' CB ' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -49.93 -53.02 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -67.05 -38.76 86.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.6 mp -61.85 -58.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.11 -46.68 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 78.8 mt-30 -62.73 -50.04 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.24 -37.13 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 99.11 -31.14 8.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 46.3 mt-10 -38.35 113.8 0.75 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.465 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.3 m95 74.16 51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 8.1 m -120.44 118.18 29.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE2' HG13 ' A' ' 89' ' ' VAL . 7.9 p90 -107.89 168.92 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 pp -167.21 140.19 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.1 t -100.51 128.63 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NH2' ' N ' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.13 143.27 29.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.95 138.97 58.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -80.6 117.38 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.84 -50.31 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -63.83 -30.14 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -121.08 89.26 46.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 111.2 3.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.34 -12.74 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.12 -178.76 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -137.21 156.79 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' OG ' ' A' ' 36' ' ' SER . 58.6 t -117.91 145.31 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.08 96.95 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -91.86 111.3 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 105' ' ' VAL . 98.4 t -112.99 131.07 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 tp -82.63 125.37 31.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 161.95 14.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.91 22.5 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -111.43 111.05 55.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' N ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.93 174.23 13.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -94.89 -44.06 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.51 -26.96 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 130.54 -130.71 6.25 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.22 5.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.82 -3.57 36.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.583 1.177 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -110.31 153.82 43.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.934 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.99 141.57 26.82 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 52' ' ' PRO . 62.3 mt -76.32 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 157.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.443 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 99.0 t -117.91 144.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 62' ' ' VAL . 1.3 m -122.99 117.11 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 31.4 m-70 -98.06 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -96.0 94.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -57.1 139.0 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.7 113.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.414 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 18.8 mtm -80.75 116.63 20.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.456 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 49.6 t -107.49 93.96 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.51 124.76 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.79 36.09 91.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.94 68.9 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 132.35 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.456 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 21.9 m-85 -98.27 137.57 36.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.63 145.86 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.56 HG22 ' CZ ' ' A' ' 92' ' ' PHE . 4.4 m -91.47 7.19 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.12 16.67 6.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.54 176.93 17.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -47.78 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.08 145.08 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.499 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 4.5 p -131.32 -172.68 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 11.4 m-85 -159.01 154.54 25.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.51 -33.17 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -126.06 147.16 49.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -56.1 -32.12 63.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -62.41 -53.78 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -22.09 61.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 5.9 tt -81.24 -50.09 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 31' ' ' PHE . 2.4 t -67.72 -45.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.62 -15.2 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -84.19 -55.24 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 66.1 m-85 -79.37 -6.77 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -13.6 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.37 -63.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.6 p -52.75 -23.23 6.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.82 177.81 20.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.427 1.08 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.3 mt -113.57 152.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 24.2 tt0 -111.68 130.76 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -87.39 175.24 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.84 -23.23 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -14.93 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.74 26.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.36 153.99 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.6 m-85 -111.5 151.36 28.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.465 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.1 t -120.67 151.05 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.32 141.57 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -91.4 81.3 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -63.06 -52.7 61.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.45 146.35 20.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.01 165.29 31.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 64.3 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 66.8 t80 -59.1 103.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 86.9 m-70 -73.28 -32.69 64.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.44 -126.4 8.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.32 81.01 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -110.47 139.98 45.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.4 t -84.11 125.24 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -40.0 -64.47 1.09 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.85 -32.5 2.25 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.19 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.303 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -48.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' CB ' ' A' ' 62' ' ' VAL . 1.2 mt-10 -49.72 -52.43 31.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -68.67 -39.8 80.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.618 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.8 mp -60.43 -57.4 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.8 mt -53.07 -37.99 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -71.19 -43.03 68.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.72 -40.02 26.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -54.9 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.14 -28.79 10.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 30' ' ' THR . 67.7 mt-10 -40.64 115.44 1.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 138.8 23.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 15.6 m95 74.69 47.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.026 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.1 m -115.06 116.6 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 89' ' ' VAL . 8.4 p90 -106.88 167.19 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.3 pp -166.72 138.93 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.73 134.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.43 166.15 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -92.11 136.45 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.68 123.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.96 -44.79 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -30.99 71.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.175 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.02 96.1 42.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.77 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.11 -18.94 7.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -100.34 -175.76 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.0 154.01 40.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' HB ' ' NH1' ' A' ' 34' ' ' ARG . 45.2 t -121.26 147.15 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -122.39 99.58 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -91.69 117.18 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG11 ' CG1' ' A' ' 105' ' ' VAL . 69.2 t -116.11 128.52 73.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 tp -79.39 119.88 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.13 161.66 17.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.74 19.79 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -108.77 110.56 61.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.96 10.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -43.97 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.34 -26.78 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 124.22 -122.25 4.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.57 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.81 6.01 58.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 91.6 p -111.63 153.18 44.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.87 27.35 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.85 125.51 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -44.9 165.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 90.8 t -126.8 144.11 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 65' ' ' ILE . 1.2 m -120.18 116.73 26.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -96.45 112.03 23.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 63' ' ' THR . 3.0 mp -100.92 92.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -54.22 150.09 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.17 106.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.34 123.74 29.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.6 93.43 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.49 134.76 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.4 38.46 90.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.06 34.83 85.39 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -137.02 139.3 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.6 m-85 -102.21 139.91 37.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -155.95 149.89 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.1 6.6 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.91 27.76 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.27 171.44 18.03 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.78 -43.42 98.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.47 152.87 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.9 p -145.91 -178.28 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 27.6 m-85 -157.22 159.8 38.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -38.07 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 m -125.29 151.91 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.032 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.4 mm? -59.49 -30.5 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 m -61.5 -49.72 75.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.86 -13.87 48.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.7 tt -91.25 -58.79 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 31' ' ' PHE . 10.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.11 -17.31 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 49.9 t60 -84.5 -47.27 10.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -84.39 -8.55 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -65.04 -11.74 42.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -118.99 -63.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.8 p -53.36 -35.67 60.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.63 -173.87 54.0 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.82 145.34 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -102.74 121.82 43.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.67 -177.77 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 -20.08 22.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.83 -4.95 46.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.27 -4.9 67.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.37 152.28 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.02 155.69 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 85.9 t -131.71 149.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -134.37 149.47 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -97.96 93.55 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -75.5 -50.42 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.17 146.52 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 174.17 13.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 47.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.17 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 91.2 m-70 -77.83 -26.98 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 -115.45 4.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -94.9 82.12 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 22.8 tpp -111.73 144.71 40.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 129.76 35.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.6 -64.04 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.03 -38.48 4.72 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.89 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.82 -55.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG2' ' CB ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -44.26 -49.13 9.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -70.92 -44.28 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.613 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 mp -56.56 -52.62 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.06 -45.01 91.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.4 mt-30 -62.34 -46.47 88.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.226 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.14 -39.05 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -53.35 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.62 23.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 30' ' ' THR . 94.9 mt-10 -41.46 115.62 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.0 130.89 13.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.452 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 79.16 54.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 4.2 m -122.13 116.92 25.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 89' ' ' VAL . 6.8 p90 -107.58 168.41 9.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.57 136.25 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.1 t -96.64 132.52 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.06 143.67 29.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 2.0 tt0 -70.46 138.74 51.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.1 111.65 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.15 -51.2 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -29.93 71.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -121.83 93.01 48.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.67 -11.97 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -114.64 -178.04 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 35' ' ' GLU . 97.2 m-85 -144.14 155.63 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 HG23 ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -120.1 144.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.28 106.6 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -101.07 109.68 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.408 HG13 ' CG1' ' A' ' 105' ' ' VAL . 90.1 t -108.86 134.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.0 tp -84.36 125.9 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -94.14 158.52 15.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.53 16.73 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -106.57 108.98 62.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.73 12.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -93.83 -44.31 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.46 -26.87 7.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.63 -127.6 5.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.15 3.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 1.01 30.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.0 p -113.11 154.0 45.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 140.44 25.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.79 126.25 30.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 160.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.447 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 88.2 t -124.95 148.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -124.63 118.97 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 40.6 m-70 -99.8 113.31 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.634 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 3.1 mp -99.86 92.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.84 120.49 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -88.26 125.51 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.41 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 18.5 mtm -93.47 113.15 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -102.5 93.69 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.45 130.35 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.54 84.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.69 24.32 74.05 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -125.83 138.21 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' HD21 ' A' ' 85' ' ' LEU . 52.3 m-85 -102.25 136.75 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 t -155.49 147.34 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 65' ' ' ILE . 3.0 m -92.8 7.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.86 14.55 7.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.64 176.32 19.34 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.79 -37.93 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.06 144.09 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.447 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.4 p -136.2 -177.16 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 81' ' ' THR . 20.9 m-85 -156.07 164.15 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.89 -37.94 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 p -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 1.8 mm? -55.59 -27.18 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -64.25 -49.03 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -16.21 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -85.09 -52.35 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 31' ' ' PHE . 14.5 t -67.03 -38.9 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.85 -10.36 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.29 -57.31 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 88.8 m-85 -75.26 -7.17 53.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -14.64 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -63.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.7 p -52.18 -42.24 63.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.02 -176.29 48.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 98' ' ' GLU . 5.6 mt -121.64 155.15 25.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.4 tt0 -113.2 132.34 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -82.07 178.28 8.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.93 -15.39 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.5 p -81.44 -13.39 58.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.06 -20.48 26.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 153.15 36.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.9 m-85 -110.8 154.61 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 82.6 t -126.16 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 0.3 OUTLIER -99.98 86.12 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 18.0 mtp-105 -69.98 -44.69 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -150.72 146.74 19.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.05 -175.58 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 68.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -66.19 100.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -73.19 -28.45 62.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.07 -134.13 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.453 ' CD2' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -81.1 84.48 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.612 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 ttm -108.66 139.34 43.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -82.48 129.42 34.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -39.18 -63.99 1.02 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.16 4.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.57 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -49.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -50.47 -53.19 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -39.92 88.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -60.74 -63.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 46' ' ' SER . 15.7 mt -49.02 -39.54 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 81.2 mt-30 -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.13 -38.53 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -77.39 -56.31 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.82 -18.6 56.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -47.97 116.65 4.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.32 20.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 72.43 44.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 55.5 m -109.99 117.38 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 89' ' ' VAL . 6.2 p90 -107.25 168.18 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -166.73 147.8 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.6 t -104.16 135.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.403 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 13.7 ptt85 -146.32 165.8 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 4.0 mt-10 -88.6 146.03 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 127.28 34.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 12' ' ' HIS . 79.5 mt -82.15 -47.4 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -16.95 64.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -138.25 106.36 7.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.84 -37.3 2.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.31 169.24 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.99 156.88 48.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 45' ' ' LEU . 63.0 t -118.07 144.81 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HG11 ' A' ' 44' ' ' VAL . 61.3 tp -123.13 91.3 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 1.8 t -85.68 120.06 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.98 128.85 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' TRP . 12.9 tp -80.72 125.13 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.49 160.71 15.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.99 19.61 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.3 112.46 57.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.86 10.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -44.38 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.61 -26.57 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 -129.72 6.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.56 -4.11 19.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.7 p -110.92 153.89 43.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 140.7 25.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.12 124.24 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 160.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.7 t -122.01 154.82 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -132.77 110.73 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 91.2 m-70 -89.21 110.07 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.05 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -63.24 157.07 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.1 t -130.48 115.56 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.446 ' CE ' ' C ' ' A' ' 76' ' ' VAL . 7.2 mtm -85.98 117.42 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 17.9 t -104.32 94.11 5.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.51 124.59 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.34 95.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 20.85 50.02 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.53 136.7 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.801 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.51 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -109.86 138.05 46.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.83 153.83 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.538 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 18.0 m -96.03 6.78 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.9 32.27 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.81 177.08 18.9 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -46.24 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.22 139.46 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.492 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 15.4 p -133.68 -175.22 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 16.7 m-85 -158.62 157.98 32.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -95.71 -34.15 12.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -121.74 137.38 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.67 -28.97 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 -55.1 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -17.11 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.0 tt -87.4 -52.11 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 31' ' ' PHE . 2.3 t -66.93 -39.03 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.99 -14.05 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 27.9 t60 -85.45 -52.71 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 75.2 m-85 -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.63 -16.26 64.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -112.54 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 52.9 p -52.91 -53.44 49.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.82 -175.83 24.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 98' ' ' GLU . 8.1 mt -123.13 149.96 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.757 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 97' ' ' ILE . 29.7 tt0 -108.19 125.42 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.52 -176.81 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.74 -11.51 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.83 -5.46 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.17 -2.92 58.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.73 153.24 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -106.44 160.79 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.497 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 41.4 t -138.21 156.86 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -142.05 148.71 38.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -96.43 99.14 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 12.5 mtt-85 -82.4 -61.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -136.49 141.26 34.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.35 43.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.631 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 71.4 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.616 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 100.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.543 ' CD2' HD13 ' A' ' 32' ' ' LEU . 88.5 m-70 -73.58 -32.05 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.34 -140.06 15.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.548 ' CD2' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -71.26 87.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.619 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 ttm -112.23 127.88 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 t -69.12 141.2 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.44 -64.23 4.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.85 -26.73 2.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -74.83 -63.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.49 -51.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -48.87 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.03 -40.9 74.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.9 mp -59.22 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.39 -41.0 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.56 -40.05 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -52.62 -35.93 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CG ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -78.95 -56.65 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.12 -22.47 38.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' OE1' ' CG ' ' A' ' 25' ' ' LYS . 12.2 mp0 -47.12 115.93 3.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.04 137.6 21.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 73.4 40.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.3 m -107.31 116.68 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 6.5 p90 -107.12 166.72 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.25 143.34 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.616 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.3 t -96.61 133.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.48 165.98 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.51 139.65 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.67 110.09 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 ' CD2' ' A' ' 12' ' ' HIS . 14.6 mt -64.1 -43.43 95.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -32.23 72.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.28 95.83 48.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 108.66 2.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -19.99 4.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -171.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -147.06 154.5 41.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.97 146.19 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 tp -123.1 92.63 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.63 119.7 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.459 HG13 ' CG1' ' A' ' 105' ' ' VAL . 52.5 t -120.28 127.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' TRP . 14.7 tp -80.01 121.21 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.94 160.66 17.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.35 26.52 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -116.27 111.94 42.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.64 19.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -90.2 -44.38 9.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.59 -27.31 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.72 -127.36 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.11 2.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.61 -3.45 17.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 p -112.9 153.56 45.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.09 123.23 24.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -41.52 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 64' ' ' HIS . 89.1 t -123.52 145.51 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.404 ' N ' HG11 ' A' ' 62' ' ' VAL . 1.6 m -123.39 118.09 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' HG13 ' A' ' 62' ' ' VAL . 36.3 m-70 -99.45 109.26 21.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 92.55 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 142.83 41.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.38 127.31 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 6.8 mtm -100.85 110.73 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 42.9 t -96.38 94.36 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.91 139.73 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 33.5 39.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.74 69.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -118.62 133.41 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.506 ' CD1' HD22 ' A' ' 85' ' ' LEU . 85.8 m-85 -102.51 140.12 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -155.45 149.29 25.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 5.7 m -94.85 7.41 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.19 14.72 7.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.087 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.72 176.84 19.05 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -44.48 72.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 91' ' ' HIS . 5.9 mt-10 -59.09 146.4 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.453 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.7 p -134.48 -177.02 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 21.3 m-85 -156.49 155.57 32.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.81 -31.03 14.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 m -128.73 145.94 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.506 HD22 ' CD1' ' A' ' 74' ' ' TYR . 1.5 mm? -55.59 -28.42 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -66.03 -50.55 63.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -15.03 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 2.1 tt -87.93 -46.69 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG12 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -71.02 -40.35 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.66 -12.11 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' ' OE1' ' A' ' 80' ' ' GLU . 79.3 t60 -83.79 -59.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 95.9 m-85 -75.72 -6.99 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.3 -17.06 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 -63.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.2 p -53.5 -56.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.65 -178.63 25.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' VAL . 5.9 mt -119.66 143.48 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -96.78 129.56 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -85.26 164.31 18.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.31 -14.91 62.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.4 -19.64 35.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.68 -22.66 16.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.9 45.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.86 158.92 15.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.7 t -132.68 148.73 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -135.32 151.8 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -100.15 101.06 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -84.54 -59.58 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.18 138.35 28.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.0 156.79 43.02 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.633 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 20.9 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.614 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -51.8 102.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 95.0 m-70 -78.98 -26.19 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.9 4.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -97.13 81.3 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.453 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 27.3 tpp -109.88 141.09 43.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 m -80.36 128.15 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.96 -61.44 2.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.49 -34.83 6.83 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.465 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.85 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.94 -53.45 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -45.58 -50.32 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.02 -43.34 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.611 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 mp -57.21 -56.0 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.9 mt -53.74 -46.09 70.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.83 -43.93 94.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.3 17.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -53.53 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.43 -23.67 26.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 30' ' ' THR . 87.5 mt-10 -41.15 115.6 1.33 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 19.3 m95 83.82 54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.1 m -123.14 117.41 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 89' ' ' VAL . 8.2 p90 -107.29 168.39 9.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 2.4 pp -165.58 137.0 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.9 t -96.65 130.69 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.33 138.04 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.75 136.25 55.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.34 103.6 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.64 -50.16 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -29.48 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -121.51 93.56 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.73 3.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.34 -21.37 5.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.54 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.28 157.84 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG21 ' NH2' ' A' ' 34' ' ' ARG . 51.3 t -119.75 145.96 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 44' ' ' VAL . 62.7 tp -125.85 99.45 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 m -92.83 116.58 29.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG11 ' CG1' ' A' ' 105' ' ' VAL . 76.7 t -114.75 135.96 52.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 128.17 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 162.19 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.33 24.83 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -112.67 107.02 55.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -93.73 -44.16 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.46 -26.92 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.99 -127.21 5.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.69 3.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.3 29.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.6 p -110.19 153.75 43.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.03 26.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.71 126.45 30.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -46.01 157.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 87.0 t -120.81 146.4 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -123.79 117.96 26.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 42.5 m-70 -96.55 110.68 23.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.56 93.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -56.53 143.03 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.64 109.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.453 ' HE1' ' CA ' ' A' ' 77' ' ' GLY . 20.5 mtm -80.89 114.62 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.3 t -102.09 93.52 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 108.276 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.36 134.62 51.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.63 33.92 59.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.52 19.38 72.74 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 134.32 55.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.74 136.04 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.24 145.94 22.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.55 7.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.99 15.55 7.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.23 176.83 17.72 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.79 -47.0 70.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.97 143.86 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.49 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 11.9 p -133.03 -175.52 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' A' ' 88' ' ' LEU . 19.5 m-85 -158.88 153.09 23.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.42 -36.45 13.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -121.62 145.93 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 m -64.19 -45.9 86.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -13.11 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.493 ' CD1' ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -92.8 -50.17 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -67.01 -37.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.8 -7.28 49.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -90.25 -52.13 5.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 83.8 m-85 -81.1 -7.45 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.82 -17.44 64.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.78 -62.35 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 77.3 p -54.97 -58.7 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.79 -179.29 21.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 mt -124.17 153.35 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -108.13 134.42 51.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -90.5 177.15 6.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.29 -12.28 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -89.31 16.57 7.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.24 17.12 71.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.93 154.16 22.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.5 153.9 22.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 93.0 t -129.97 149.74 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.76 148.6 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 1.3 mp -99.82 83.27 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -67.11 -41.83 85.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -155.7 150.9 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 -170.45 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 55.3 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.555 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.1 t80 -60.49 103.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 75.5 m-70 -77.65 -2.64 36.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 92.9 -116.97 5.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -110.98 89.27 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.418 ' CE ' HD21 ' A' ' 21' ' ' LEU . 1.8 tpp -103.17 159.27 15.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.9 t -99.63 129.1 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -37.63 -63.91 0.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.33 -41.03 6.35 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -63.25 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -53.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 1.1 mt-10 -45.0 -49.88 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -71.24 -42.67 68.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.637 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -56.97 -50.7 71.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.05 -41.72 97.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 85.0 mt-30 -65.54 -43.16 90.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.51 60.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -55.98 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.79 -9.01 78.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 30' ' ' THR . 45.0 mt-10 -56.48 116.91 14.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.99 132.01 14.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.4 m95 74.01 42.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 11.7 m -107.54 118.95 38.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.9 p90 -107.44 165.66 11.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 2.4 pp -164.07 141.55 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.5 t -96.66 131.01 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 31.0 ptt85 -145.44 141.11 28.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 3.6 mt-10 -75.16 147.55 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -82.02 136.75 35.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 12' ' ' HIS . 86.9 mt -84.68 -51.85 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 p -64.12 -22.5 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.19 98.57 32.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 105.91 2.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.51 -28.52 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.74 171.92 10.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -138.5 156.7 47.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.62 144.75 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 tp -120.07 100.11 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -94.15 116.98 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.95 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' THR . 53.7 t -117.44 130.53 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' TRP . 12.9 tp -82.05 129.48 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 158.42 15.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.83 21.13 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -113.24 109.78 51.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -91.03 -44.75 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.35 -27.01 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.19 -125.86 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.85 -1.14 28.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 p -111.75 153.84 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 146.04 32.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.0 126.3 31.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -44.63 150.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.404 HG11 ' NE2' ' A' ' 64' ' ' HIS . 64.1 t -113.39 150.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 112.21 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.425 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 55.5 m-70 -98.29 118.87 35.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.93 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 145.96 41.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.0 122.97 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.2 mtm -93.59 120.6 34.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.3 t -105.76 93.72 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -125.55 123.65 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.83 37.56 94.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.75 28.06 72.04 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -127.82 136.14 51.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.499 ' CD2' HD22 ' A' ' 85' ' ' LEU . 30.0 m-85 -102.73 138.67 39.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -155.64 149.03 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG22 ' CZ ' ' A' ' 92' ' ' PHE . 11.9 m -94.47 7.14 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 22.65 5.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.97 176.98 16.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -38.5 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.27 146.52 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.5 p -136.47 -178.9 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 30.6 m-85 -154.71 156.49 36.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.33 -36.05 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -122.12 139.5 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.6 mm? -53.36 -25.94 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.6 m -67.96 -45.47 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -12.17 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 8.3 tt -92.86 -53.74 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 31' ' ' PHE . 43.3 t -62.9 -37.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.22 -6.54 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -94.2 -50.59 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.605 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CD2' HD22 ' A' ' 88' ' ' LEU . 74.5 m-85 -80.98 -7.35 59.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -63.38 -13.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 -64.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.3 p -52.04 -27.52 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 -173.9 45.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 98' ' ' GLU . 8.6 mt -127.66 149.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' HG21 ' A' ' 97' ' ' ILE . 11.8 tt0 -108.16 124.69 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.41 175.55 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.5 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.11 -19.21 23.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.31 146.09 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.17 163.1 13.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.483 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 45.8 t -133.67 165.07 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.478 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 53.3 m-85 -151.0 148.86 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.511 HD22 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -100.63 95.81 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -82.04 -33.01 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.32 150.22 7.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 156.31 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.637 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.636 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 75.7 t80 -55.08 101.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -74.28 -24.27 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.56 -131.96 10.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -88.87 80.2 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 tpp -101.57 150.14 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -88.16 126.44 35.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.41 -64.03 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.27 -35.97 2.79 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.4 -63.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -50.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 3.5 mt-10 -47.54 -53.05 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -68.12 -41.46 81.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.622 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.4 mp -58.17 -56.88 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.1 mt -53.69 -44.46 69.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -63.97 -49.5 72.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -39.42 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -53.06 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -8.09 78.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.07 115.5 9.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 79.73 48.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 28.8 m -117.37 117.15 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.8 p90 -106.36 167.53 9.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -165.41 140.17 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.636 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 8.0 t -97.32 132.52 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -146.44 164.89 31.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -88.92 139.73 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 127.62 32.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.23 -41.84 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -26.39 63.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -126.94 95.07 37.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.55 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.74 -25.15 5.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -171.34 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -144.32 154.4 43.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.54 145.33 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -122.78 98.81 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -92.38 118.12 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 105' ' ' VAL . 65.9 t -117.23 133.95 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 tp -85.37 131.29 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.8 160.74 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.16 21.16 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -109.07 108.82 60.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.68 14.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -94.93 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.22 -26.91 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.47 -125.35 5.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.64 3.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 2.29 32.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 p -113.65 151.72 44.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 Cg_endo -75.04 142.1 27.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.42 127.12 32.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 165.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.21 149.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -127.12 118.09 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 65.7 m-70 -98.75 114.07 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.72 93.14 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.28 142.27 43.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.27 107.68 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.405 ' CE ' ' C ' ' A' ' 76' ' ' VAL . 7.5 mtm -81.19 126.07 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -110.03 93.57 4.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.68 133.38 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.12 33.18 86.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.3 24.56 70.72 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -127.85 143.04 51.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -104.68 140.15 38.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.1 t -155.74 151.5 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.405 ' C ' ' CE ' ' A' ' 68' ' ' MET . 15.1 m -94.02 7.14 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.05 5.97 16.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.8 174.77 21.92 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.0 -48.31 76.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.93 139.43 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.2 p -130.55 -176.18 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 17.8 m-85 -155.97 164.17 38.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -36.24 8.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -123.12 141.01 52.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -34.1 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -59.23 -47.78 84.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -17.7 64.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tt -85.27 -47.03 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 31' ' ' PHE . 21.6 t -71.55 -43.02 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.3 -6.54 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 58.3 t60 -88.89 -56.24 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.546 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -79.6 -7.41 58.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -62.16 -14.28 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -64.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.2 p -52.91 -35.94 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.07 173.28 47.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 98' ' ' GLU . 7.5 mt -111.0 150.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 97' ' ' ILE . 22.6 tt0 -107.36 130.93 54.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.71 -178.9 6.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.81 -2.2 56.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.36 -5.34 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -18.25 51.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.71 154.03 36.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -110.82 161.06 16.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 47' ' ' VAL . 92.2 t -134.46 147.11 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -131.41 152.47 50.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.525 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.2 mp -101.64 99.33 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 13.2 mtp-105 -82.35 -38.22 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -162.02 147.49 10.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.92 9.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 65.8 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.44 106.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.8 m-70 -79.8 -30.24 40.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.637 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.33 -122.77 6.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.515 ' CD2' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -89.19 90.62 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.617 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.4 tpp -113.25 140.14 48.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' GLN . 9.1 m -83.7 125.92 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.66 -64.05 0.92 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.97 -32.36 4.66 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.33 -65.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.9 -52.07 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 1.5 mt-10 -47.79 -49.57 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -71.26 -41.32 70.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -57.98 -57.58 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.3 mt -51.71 -39.3 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.47 -47.53 60.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.23 -38.44 5.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -54.9 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 -7.66 81.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' A' ' 30' ' ' THR . 56.2 mt-10 -57.65 116.78 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.01 132.16 15.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.94 39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 18.2 m -105.04 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.9 p90 -107.3 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.71 139.48 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 8' ' ' TRP . 10.9 t -96.11 132.84 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -145.24 148.69 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.76 137.51 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 126.68 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 12' ' ' HIS . 7.6 mp -84.61 -37.78 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -17.95 60.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -133.89 105.93 11.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -37.96 3.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -175.93 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -146.79 161.54 40.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.94 146.58 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.3 tp -127.35 96.8 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -90.11 122.3 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 31' ' ' PHE . 52.2 t -120.61 135.79 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 tp -87.22 130.86 34.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.71 163.16 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.29 22.83 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.89 113.16 39.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.473 ' CA ' HD22 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.0 168.45 24.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.772 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -96.9 -40.52 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -123.8 34.34 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.07 -134.69 34.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.34 20.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.64 -8.36 68.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 p -110.69 153.57 43.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.28 39.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' CA ' ' A' ' 52' ' ' PRO . 52.6 mt -81.84 130.78 35.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -45.93 154.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 97.4 t -113.94 149.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -131.24 120.2 22.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.94 118.52 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.47 92.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 145.45 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.31 121.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.429 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 16.4 mtm -93.95 119.77 33.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.5 p -96.64 97.1 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.368 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.54 122.42 37.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.93 96.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.11 13.54 62.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -115.78 138.64 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CD2' HD21 ' A' ' 85' ' ' LEU . 29.0 m-85 -99.21 142.25 30.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.37 144.68 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 HG12 ' CZ ' ' A' ' 92' ' ' PHE . 3.2 m -88.35 6.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 115.82 5.41 18.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.97 176.06 27.95 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -38.77 79.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.95 150.1 43.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 1.2 p -137.23 -174.6 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 9.2 m-85 -158.34 154.84 27.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.81 15.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 149.89 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 74' ' ' TYR . 2.3 mm? -57.04 -30.65 64.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -61.19 -48.72 80.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -13.58 62.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 10.5 tt -89.88 -50.89 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.535 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.7 t -65.15 -38.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.48 -9.18 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -87.97 -52.72 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 76' ' ' VAL . 90.5 m-85 -81.36 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.128 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -15.77 58.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 -63.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 82.8 p -53.12 -36.74 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.15 -172.7 54.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' VAL . 7.4 mt -127.82 152.83 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 97' ' ' ILE . 14.8 tt0 -110.76 124.09 51.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -75.63 172.51 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.32 -17.99 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.95 -14.89 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.28 -9.12 45.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.97 148.3 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -98.76 162.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.478 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 72.6 t -137.93 156.98 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -141.83 148.68 39.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -100.69 88.66 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 15.8 mtp-105 -71.68 -55.7 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -140.66 147.52 49.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 21.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.59 99.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 74.6 m-70 -69.89 -27.61 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.37 -135.81 13.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -82.86 91.74 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.3 ttm -111.82 148.21 34.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -85.66 124.77 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.15 -63.58 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.9 -38.12 10.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.71 -62.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -51.76 -47.65 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -71.2 -37.72 72.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.608 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.0 mp -63.09 -56.6 15.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 mt -55.99 -39.25 71.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 86.3 mt-30 -69.32 -51.59 35.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.7 -34.06 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -76.73 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.46 46.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -48.61 113.27 2.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.24 23.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 21.5 m95 71.63 41.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 79.8 m -110.21 116.57 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE2' HG12 ' A' ' 89' ' ' VAL . 6.3 p90 -106.71 166.64 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -163.95 140.62 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG22 ' CE3' ' A' ' 8' ' ' TRP . 10.8 t -96.8 132.74 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -145.94 146.79 31.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 140.13 45.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.24 143.08 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -94.28 -51.11 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -64.9 -25.03 67.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -120.43 103.15 44.62 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.22 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.38 -26.31 8.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.31 164.26 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -127.67 157.77 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 45' ' ' LEU . 37.3 t -118.75 146.48 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 44' ' ' VAL . 61.2 tp -124.56 101.93 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -94.37 122.07 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.425 HG13 ' CG1' ' A' ' 105' ' ' VAL . 55.0 t -122.8 132.83 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 15.2 tp -86.86 116.86 25.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.72 161.21 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.54 24.87 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -114.4 111.77 46.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 174.81 12.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -95.14 -44.26 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.93 -26.88 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.41 -131.21 6.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.51 2.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.06 -4.54 11.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -113.14 153.61 45.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.1 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 52' ' ' PRO . 66.2 mt -75.12 128.57 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 96.6 t -128.05 146.49 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -125.82 118.24 25.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 62' ' ' VAL . 60.9 m-70 -99.65 108.84 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.656 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 97' ' ' ILE . 2.7 mp -94.43 95.17 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -61.59 131.3 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.32 124.81 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 mtm -97.95 112.56 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 52.3 t -100.06 94.19 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 108.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.3 138.14 52.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.8 35.21 66.93 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.79 28.73 73.75 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -133.52 138.6 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.523 ' CD1' HD22 ' A' ' 85' ' ' LEU . 63.6 m-85 -102.42 140.35 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.58 144.58 20.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.52 HG23 ' CZ ' ' A' ' 92' ' ' PHE . 2.6 m -90.58 7.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 7.23 14.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.02 176.74 27.23 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -41.69 74.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.91 150.67 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.46 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.6 p -138.79 -177.4 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' C ' ' A' ' 81' ' ' THR . 25.3 m-85 -157.59 163.54 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -98.9 -36.09 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 p -119.74 146.81 45.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 74' ' ' TYR . 1.4 mm? -57.96 -37.43 74.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -58.37 -45.65 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -21.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.3 tt -81.74 -48.32 11.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 31' ' ' PHE . 2.5 t -68.45 -42.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.29 -12.74 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -85.71 -54.34 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CZ ' HG23 ' A' ' 76' ' ' VAL . 71.3 m-85 -79.04 -7.32 58.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -64.53 -13.3 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.3 p -51.89 -62.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 105' ' ' VAL . . . 110.75 168.69 19.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.459 ' CG2' HG12 ' A' ' 65' ' ' ILE . 5.6 mt -109.97 136.72 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -86.1 135.5 33.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -94.65 -176.2 3.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.19 -6.14 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 14.11 29.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.68 70.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.86 148.56 32.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.32 159.54 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.494 ' O ' ' CA ' ' A' ' 96' ' ' GLY . 95.9 t -127.19 148.33 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -123.76 143.23 50.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.8 mp -98.71 82.67 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.6 mtp-105 -61.12 -63.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -136.95 147.04 57.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.95 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.6 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.631 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -51.36 106.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 87.8 m-70 -86.1 -29.93 22.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.12 -111.48 3.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 91.33 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.518 ' HE3' ' CG ' ' A' ' 10' ' ' HIS . 41.9 ttm -116.28 155.67 27.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.58 127.26 49.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.4 -63.18 1.42 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.4 -40.95 6.41 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.07 -63.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.13 -51.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.52 -50.08 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -68.99 -38.22 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.5 mp -64.17 -61.6 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.79 -42.79 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.5 mt-30 -69.08 -48.9 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.8 -34.83 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 103.65 -32.31 7.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' GLY . 98.5 mt-10 -38.01 113.69 0.71 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.98 138.91 23.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.498 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 15.8 m95 74.41 47.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.3 m -115.41 115.53 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 8.9 p90 -107.32 166.0 10.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -164.11 136.57 4.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.631 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.3 t -96.96 139.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -145.74 159.7 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.48 135.96 34.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 80.2 p -70.85 126.42 29.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -94.25 -42.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -87.53 -25.24 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -93.39 137.36 23.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 122.82 7.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.89 59.34 1.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.535 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -138.08 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 13.5 m-85 -144.89 157.53 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.0 t -122.77 142.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -117.05 99.36 7.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -91.41 110.49 21.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG13 ' CG1' ' A' ' 105' ' ' VAL . 92.5 t -112.98 126.51 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.89 124.47 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -88.38 165.97 14.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -97.47 14.65 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -104.96 111.81 65.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.05 171.62 17.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -91.45 -44.53 9.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.92 -26.98 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.04 -129.71 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.72 -5.45 22.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -110.86 153.5 43.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 52' ' ' PRO . 83.9 mt -76.53 127.31 32.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -45.2 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.29 153.12 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -128.86 113.62 15.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -93.38 101.91 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -91.87 96.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 133.72 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.15 126.57 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.405 ' HE2' ' N ' ' A' ' 77' ' ' GLY . 16.6 mtm -93.37 110.95 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 19.7 t -99.7 93.27 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.56 142.82 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.61 31.44 52.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.44 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -121.57 148.88 43.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 69.9 m-85 -111.44 139.74 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.6 t -155.92 150.06 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 ' CZ ' ' A' ' 92' ' ' PHE . 4.2 m -93.4 6.54 6.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' HE2' ' A' ' 68' ' ' MET . . . 113.84 24.77 4.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.11 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.78 71.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.75 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.505 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.4 p -134.11 -174.55 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 81' ' ' THR . 16.1 m-85 -159.24 158.48 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -94.37 -36.43 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 p -125.17 146.44 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.72 -32.79 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 m -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -17.9 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -85.48 -48.74 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -68.64 -54.65 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.14 -18.11 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 31.3 t60 -79.3 -61.29 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 53.5 m-85 -72.71 -6.6 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.67 -15.46 62.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 2.0 pttt -115.0 -62.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 43.6 p -52.3 -57.24 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 172.75 26.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.41 155.35 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.8 tt0 -115.06 130.02 56.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -83.43 173.12 11.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.0 -27.34 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t -69.32 -13.33 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.72 -21.96 29.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.98 154.64 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.3 m-85 -111.78 150.66 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 88.7 t -122.51 147.02 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -130.87 154.42 48.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -102.08 95.76 6.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.498 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 13.2 mtp180 -76.34 -50.35 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -146.77 141.23 15.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.93 160.7 40.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.597 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.6 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.472 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 78.5 t80 -67.48 100.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -74.31 -24.28 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.13 -137.24 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -81.64 102.82 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.601 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 21' ' ' LEU . 39.1 ttm -121.67 143.23 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -83.48 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.24 -59.84 2.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.54 26.78 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.97 -63.43 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.7 -48.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.01 -48.85 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -69.29 -39.53 78.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.614 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.9 mp -60.6 -57.34 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.71 -39.59 65.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.8 mt-30 -69.59 -42.86 73.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.34 -35.39 38.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -77.44 -62.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.98 -14.95 62.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 30' ' ' THR . 0.1 OUTLIER -55.56 119.4 24.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.01 132.88 15.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.2 m95 75.09 46.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 27' ' ' GLU . 11.6 m -111.26 116.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.552 ' CE2' HG13 ' A' ' 89' ' ' VAL . 7.4 p90 -106.71 166.14 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -163.35 144.52 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.9 t -102.07 128.66 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -145.9 147.78 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.5 tt0 -72.95 146.5 46.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.03 135.34 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.75 -45.36 11.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -29.2 70.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -128.3 106.42 19.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.54 -40.31 2.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.39 171.78 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.763 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -135.6 160.15 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.52 146.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 tp -122.22 96.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -89.77 120.21 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' THR . 79.7 t -117.72 136.47 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 tp -86.67 126.5 34.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 159.68 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.24 22.66 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -115.25 111.43 44.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -96.96 -43.16 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.68 -27.31 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.52 -123.3 5.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.38 4.57 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.5 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.2 p -112.0 153.14 44.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.0 144.16 29.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.66 125.92 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.13 155.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.6 t -118.77 149.03 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.19 111.93 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.9 111.07 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.8 93.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -57.59 154.59 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 t -127.46 126.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 mtm -96.48 111.76 23.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 38.1 t -98.97 93.83 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -128.14 141.47 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.14 43.23 50.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.89 62.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -133.08 143.05 49.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -110.56 139.96 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t -155.69 151.16 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG23 ' CZ ' ' A' ' 92' ' ' PHE . 11.6 m -92.77 7.15 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 10.79 10.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.07 173.34 20.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -48.5 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.57 148.66 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.418 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.7 p -138.49 -178.87 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CG ' ' C ' ' A' ' 81' ' ' THR . 29.9 m-85 -155.46 161.61 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.53 -40.02 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -116.86 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -50.03 -35.24 24.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 m -58.63 -53.02 63.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -17.55 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 74' ' ' TYR . 8.1 tt -87.44 -54.16 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.552 HG13 ' CE2' ' A' ' 31' ' ' PHE . 5.3 t -64.35 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.35 -15.37 60.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.401 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 82.9 t60 -83.44 -57.35 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CZ ' HG23 ' A' ' 76' ' ' VAL . 91.3 m-85 -75.4 -6.86 52.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -68.15 -10.93 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 58.9 p -54.18 -51.7 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.7 -174.58 23.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.7 mt -126.26 151.62 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -111.31 121.32 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.88 -173.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.03 -22.54 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 m -72.94 -21.74 60.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.52 6.73 21.35 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.161 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.02 151.91 21.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.86 159.15 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.471 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.5 t -132.4 158.86 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -142.57 151.61 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER -105.29 94.4 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -44.81 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -148.58 145.88 21.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -74.98 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 30.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.444 ' CZ3' HG23 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.86 100.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.6 m-70 -69.45 -33.91 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.24 -119.64 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -96.52 83.96 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.41 ' CE ' HD22 ' A' ' 21' ' ' LEU . 32.4 ttm -106.99 140.25 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -79.41 129.05 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.22 -62.3 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.0 6.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -66.09 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.53 -55.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.47 -48.19 26.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -70.69 -40.14 73.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.5 mp -60.33 -59.58 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.19 -40.46 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.28 -49.73 58.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.29 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 102.31 -32.93 6.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' OG1' ' A' ' 30' ' ' THR . 93.0 mt-10 -38.05 115.67 0.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.92 23.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.485 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 18.3 m95 72.84 50.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 6.4 m -118.3 119.35 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 89' ' ' VAL . 4.8 p90 -106.76 170.48 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.7 pp -167.18 136.73 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 14.0 t -96.49 124.63 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 142.17 27.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 150.36 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.7 130.42 34.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -77.55 -35.85 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.57 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -112.27 97.43 39.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -26.5 7.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -94.84 176.78 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.93 160.56 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.97 147.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.6 tp -123.71 93.95 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -88.39 119.39 28.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' THR . 48.8 t -120.62 133.78 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.33 126.03 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.12 159.08 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' CG ' ' CZ2' ' A' ' 29' ' ' TRP . 4.8 p-10 -91.03 25.84 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -118.08 113.16 37.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -91.64 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.44 -27.13 7.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.68 -127.36 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.01 5.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.25 -1.07 46.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.4 p -110.35 153.67 43.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 141.45 26.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.72 125.8 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -44.08 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -120.49 150.6 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -127.16 114.01 17.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -99.38 111.28 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.618 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CD1' HG21 ' A' ' 63' ' ' THR . 2.7 mp -99.44 93.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -53.35 147.99 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.3 t -127.57 110.93 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 mtm -88.59 123.37 33.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 24.4 t -102.36 95.94 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -122.35 133.41 54.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.83 23.86 61.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 -11.25 61.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -92.49 155.97 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 69' ' ' CYS . 74.9 m-85 -116.38 145.09 43.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.02 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.93 7.16 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 17.68 6.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.09 174.2 15.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.14 133.1 54.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 p -127.52 176.82 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -149.55 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.56 -43.9 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -125.47 153.25 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.72 -30.81 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -60.37 -44.23 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -18.05 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -83.53 -49.16 9.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 31' ' ' PHE . 13.9 t -69.32 -37.98 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.29 -6.72 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -89.12 -52.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.648 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -81.6 -7.51 59.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.402 ' CD ' HG13 ' A' ' 89' ' ' VAL . 1.9 mtpp -65.49 -12.65 54.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -64.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.9 p -52.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.25 174.46 18.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 105' ' ' VAL . 5.5 mt -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.04 130.56 36.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.11 161.55 21.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.38 -15.73 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -81.82 -18.94 42.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.45 29.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.45 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.27 153.63 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 98.1 t -129.34 148.63 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -132.24 151.95 51.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -101.53 84.39 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -26.53 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -178.15 160.16 1.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.3 22.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.628 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.3 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.633 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 32.7 t80 -49.94 102.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.7 m-70 -83.43 -26.33 30.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.627 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.13 -113.69 4.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 92.87 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.569 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' SER . 13.1 tpp -120.75 147.94 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 13.5 t -80.72 142.12 34.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.477 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -56.27 -64.3 4.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.73 -29.91 2.11 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.473 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -70.64 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' ' NH1' ' A' ' 34' ' ' ARG . . . -38.13 -49.17 1.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -52.42 -48.92 65.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -68.93 -43.57 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.8 mp -57.21 -56.39 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 46' ' ' SER . 36.8 mt -53.1 -48.27 67.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.11 -50.44 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.66 -39.99 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -53.0 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.39 -25.18 21.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLY . 99.1 mt-10 -38.42 112.42 0.67 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 128.58 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 20.8 m95 79.37 56.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 75.9 m -125.62 118.61 26.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 7.4 p90 -107.06 165.97 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -165.06 134.65 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.633 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.7 t -96.57 129.27 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.477 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 3.5 ptt-85 -146.62 136.65 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.68 129.27 40.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 133.88 54.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -35.49 17.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 m -74.43 -32.17 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.11 100.45 33.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -24.67 8.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.99 -176.79 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -144.29 155.33 43.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 HG12 ' NH2' ' A' ' 34' ' ' ARG . 41.4 t -123.23 145.2 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tp -114.67 109.65 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.82 108.41 19.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' THR . 99.4 t -110.56 135.11 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' TRP . 13.1 tp -85.94 126.7 34.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 160.12 14.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.62 22.7 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -111.19 109.3 56.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.01 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -92.42 -45.13 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.18 -26.7 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.52 -126.5 4.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 124.93 8.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.44 -0.57 63.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.6 p -108.12 153.98 41.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.39 27.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 HD23 ' CA ' ' A' ' 52' ' ' PRO . 61.0 mt -80.74 126.43 31.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -45.52 164.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 97.2 t -129.52 147.23 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.55 130.44 53.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.29 109.17 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.84 93.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -54.9 134.7 48.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.93 104.61 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -72.3 118.24 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.2 t -107.06 93.84 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.58 141.23 51.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.84 37.22 51.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.63 71.41 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 34.0 m-85 -101.8 139.86 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.75 143.66 20.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.62 7.0 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 4.23 19.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.0 176.34 21.93 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.26 -56.85 14.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.98 144.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.528 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.0 p -137.65 -172.87 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.528 ' CG ' ' C ' ' A' ' 81' ' ' THR . 11.7 m-85 -160.42 170.6 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.73 -37.26 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -125.39 150.7 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.8 mm? -59.18 -32.92 70.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.2 m -60.66 -45.78 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.414 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -16.79 63.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 tt -89.36 -50.12 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.469 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -64.63 -42.33 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.43 -6.87 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.401 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 33.4 t60 -93.16 -49.69 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -83.28 -6.91 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.94 -8.34 36.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -62.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.3 p -51.7 -45.8 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.24 -176.29 32.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.2 mt -128.15 150.25 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 22.7 tt0 -112.83 132.3 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.17 169.2 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 -17.39 50.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -18.44 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.97 -23.09 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.77 152.5 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.5 m-85 -109.48 147.83 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 60.4 t -119.25 162.45 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.42 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 29.5 m-85 -147.27 148.96 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -98.74 95.82 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -50.11 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -145.87 141.48 16.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 166.41 29.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 43.2 t80 -50.68 101.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.521 ' CG ' ' HE1' ' A' ' 13' ' ' MET . 87.2 m-70 -80.84 -33.29 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.16 -109.3 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CD2' HD22 ' A' ' 37' ' ' LEU . 2.3 t-160 -97.83 92.38 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.521 ' HE1' ' CG ' ' A' ' 10' ' ' HIS . 47.0 ttm -119.02 155.55 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -100.69 125.56 47.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -37.53 -64.03 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.53 -35.68 5.64 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.54 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.723 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.22 -52.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.7 OUTLIER -47.38 -49.57 24.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.82 -40.63 72.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.9 mp -59.73 -56.92 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 mt -52.43 -39.55 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -71.11 -43.46 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.25 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -55.72 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 95.41 -29.25 9.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 30' ' ' THR . 55.8 mt-10 -38.33 115.85 0.87 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.0 136.96 21.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.84 50.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 9.7 m -118.35 117.69 29.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.599 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 6.3 p90 -107.52 168.18 9.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.94 136.0 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.665 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.8 t -96.7 134.48 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -146.59 142.65 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 tt0 -67.15 137.64 56.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 136.81 49.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 12' ' ' HIS . 83.4 mt -96.08 -22.89 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.92 -26.83 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -137.35 120.81 11.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 110.9 3.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.89 -41.37 1.81 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' CG ' ' SG ' ' A' ' 69' ' ' CYS . 1.0 OUTLIER -71.85 169.97 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 59.8 m-85 -140.82 159.85 41.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.52 140.97 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.6 102.54 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -96.3 110.98 23.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 105' ' ' VAL . 71.4 t -113.86 129.25 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.4 tp -81.2 123.43 28.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -89.06 160.55 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -92.55 24.12 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -114.2 110.13 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' N ' HD21 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.07 173.39 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -94.03 -43.98 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.22 -27.04 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.38 -126.26 5.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.43 1.63 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -113.89 153.85 46.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.28 32.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 52' ' ' PRO . 88.3 mt -81.82 127.08 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.84 149.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.409 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 87.4 t -111.83 151.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -128.56 119.02 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 63.5 m-70 -100.82 106.66 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.03 98.72 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -61.37 133.72 56.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.77 111.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -75.57 106.42 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.405 ' SG ' ' CG ' ' A' ' 42' ' ' ASP . 14.3 p -94.13 93.07 7.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.48 137.49 53.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.27 52.45 32.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.21 28.26 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -132.5 148.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -108.96 142.66 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 t -155.81 150.43 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.448 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 3.7 m -94.03 6.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.4 18.09 6.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.96 176.83 16.71 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.72 -32.47 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.82 136.28 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.8 p -128.68 -178.23 4.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.3 m-85 -155.2 165.13 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.41 -41.23 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 p -124.53 153.43 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.37 -31.93 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -59.7 -53.54 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.34 -15.62 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 82' ' ' PHE . 9.6 tt -91.14 -53.55 4.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.599 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 11.1 t -62.15 -45.38 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.97 -7.76 38.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -93.86 -52.03 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.448 ' CZ ' HG11 ' A' ' 76' ' ' VAL . 61.3 m-85 -80.56 -7.18 59.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -63.77 -12.96 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -63.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 45.6 p -53.05 -23.37 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 -174.12 40.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.5 mt -124.22 149.99 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 tt0 -108.95 124.29 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -77.8 178.78 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.46 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -13.39 62.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.14 22.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.71 152.32 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.2 m-85 -108.6 151.45 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 106' ' ' TYR . 45.0 t -120.55 165.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.482 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 54.9 m-85 -149.11 142.45 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -93.08 87.19 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -70.87 -57.85 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -139.04 141.19 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.04 156.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 72.4 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -46.34 -58.38 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 p -117.3 169.56 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.17 -157.18 31.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.32 87.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m 46.3 91.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.25 55.98 0.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -106.9 -31.73 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.506 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 55.3 t80 -54.92 106.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.585 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 93.0 m-70 -90.9 15.88 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 82.24 -94.6 1.7 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.9 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.529 ' HE3' ' CG ' ' A' ' 10' ' ' HIS . 2.5 tpp -90.29 158.31 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.67 130.13 44.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.67 -63.86 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.34 -42.1 25.09 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.84 -52.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -46.72 -49.96 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -69.51 -43.6 72.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.5 mp -57.8 -56.15 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.71 -43.91 76.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.07 -43.73 94.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.44 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -52.12 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.56 62.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -50.31 114.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.4 m95 74.8 52.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.0 m -121.89 119.2 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 8.4 p90 -107.42 167.25 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -165.79 141.52 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.9 t -96.68 132.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' NH2' HG22 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -146.33 134.39 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 15.6 mt-10 -66.25 133.73 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.69 107.21 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.4 -38.22 90.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -31.74 62.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.7 95.97 45.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.44 5.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.48 -31.45 6.17 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.12 -173.46 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 64.5 m-85 -149.9 163.89 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG22 ' NH2' ' A' ' 34' ' ' ARG . 99.1 t -125.97 143.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.404 ' N ' HG11 ' A' ' 44' ' ' VAL . 64.6 tp -119.61 99.91 6.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.07 121.03 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -119.21 134.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.61 126.03 32.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.06 158.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.45 23.08 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -111.6 109.99 55.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.95 173.1 15.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -93.5 -44.24 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.36 -26.81 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.67 -126.76 5.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.63 4.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.91 -1.97 38.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.2 p -109.48 152.95 43.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.029 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.85 28.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 52' ' ' PRO . 89.0 mt -78.7 126.61 30.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.01 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 87.7 t -130.06 147.79 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -124.77 117.56 24.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 92.1 m-70 -94.48 109.3 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.98 92.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -55.96 151.93 10.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.8 t -121.16 114.54 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.467 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 16.9 mtm -87.1 103.91 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 p -88.02 93.97 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.44 140.28 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.95 47.25 66.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.45 24.6 24.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -132.13 150.93 52.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 85' ' ' LEU . 35.1 m-85 -108.19 143.95 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 t -155.75 147.98 23.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.444 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 m -92.78 7.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 116.19 -0.02 20.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.12 176.16 38.71 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -29.75 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.76 144.9 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.533 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 1.4 p -132.92 -174.99 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 81' ' ' THR . 23.9 m-85 -160.97 165.02 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.07 -41.02 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -124.67 148.39 48.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 74' ' ' TYR . 2.6 mm? -55.7 -25.16 38.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -65.22 -51.88 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -65.41 -13.09 57.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.455 ' HG ' ' CE1' ' A' ' 82' ' ' PHE . 9.4 tt -93.38 -54.91 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG12 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -60.3 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.4 -19.41 55.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.4 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 11.1 t60 -82.21 -54.82 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.1 m-85 -76.26 -7.27 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -64.68 -16.81 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -62.68 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 44.5 p -53.26 -23.96 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.31 -171.03 44.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.0 mt -129.33 155.5 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.749 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -116.43 129.89 56.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.96 -173.9 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.91 -24.99 16.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -7.2 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.64 59.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.63 152.78 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.36 156.65 18.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 96.6 t -130.63 154.48 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.93 141.47 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.546 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.3 mp -91.67 79.71 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -57.48 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -142.35 145.27 34.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 25.5 t80 -97.55 118.95 35.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 15.3 p 58.55 167.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.18 -179.06 15.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -62.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.787 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.6 m -81.75 150.25 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -114.1 -60.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -129.94 -60.12 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -81.51 86.82 6.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.81 -90.04 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.14 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m 71.5 -61.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.17 -84.66 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.607 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -41.97 -43.3 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.402 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.1 t80 -51.07 101.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 95.3 m-70 -90.17 -14.29 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.72 -122.24 7.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.163 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -101.14 81.64 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 tpp -97.42 148.26 23.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.941 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.69 -64.13 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.24 -35.7 14.91 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -61.12 -61.65 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -39.09 -55.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 1.6 mt-10 -44.36 -48.88 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -71.47 -41.44 69.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.609 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -58.93 -54.1 50.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.6 mt -57.11 -43.4 82.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.92 -49.33 70.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.07 -36.66 5.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -62.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 100.8 -29.56 12.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 30' ' ' THR . 63.3 mt-10 -38.42 114.22 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 136.19 20.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 22.9 m95 74.1 52.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.7 m -122.0 120.58 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' CG ' HD21 ' A' ' 107' ' ' LEU . 4.4 p90 -107.75 166.55 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 2.1 pp -166.74 140.99 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.598 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 15.8 t -96.38 132.66 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' NH2' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -146.09 135.02 22.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 137.24 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 114.47 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.36 -44.25 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -33.04 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 96.2 48.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.12 -34.37 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -94.83 -176.95 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -142.72 153.12 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG23 ' NH2' ' A' ' 34' ' ' ARG . 47.2 t -114.14 145.04 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.4 tp -121.06 95.8 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -89.14 115.0 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG22 ' CB ' ' A' ' 31' ' ' PHE . 38.1 t -115.76 137.6 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.8 tp -86.11 135.4 33.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 p -100.92 161.45 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -91.12 18.07 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -108.93 106.28 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.402 ' HB2' ' OG ' ' A' ' 58' ' ' SER . 18.3 Cg_endo -75.01 168.12 25.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -85.65 -45.93 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.74 -27.27 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.14 -73.22 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.24 12.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.28 38.88 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 52' ' ' PRO . 48.9 p -108.74 148.46 37.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.9 17.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.572 1.827 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.2 mt -77.35 125.39 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -46.8 148.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.61 149.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -124.28 111.68 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 72.6 m-70 -91.73 104.02 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.74 93.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -58.03 145.88 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.59 103.61 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.9 122.85 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 t -109.29 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -128.69 143.05 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.24 36.74 53.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.19 24.83 67.62 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -125.47 142.86 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CE1' HD21 ' A' ' 85' ' ' LEU . 75.7 m-85 -108.82 139.82 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 t -156.23 151.48 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 18.3 m -94.86 6.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.45 2.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.42 177.06 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.7 -47.63 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.02 147.61 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.44 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 6.8 p -139.95 -179.12 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.0 m-85 -155.57 170.74 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -108.09 -38.51 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 m -118.34 143.85 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD21 ' CE1' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -55.89 -40.95 73.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 m -56.43 -44.95 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.25 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 tt -86.38 -46.65 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -68.22 -42.98 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.37 -6.21 41.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 28.2 t60 -92.16 -48.13 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.406 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 43.7 m-85 -84.31 -7.19 59.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -67.26 -11.4 57.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -62.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.4 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 50.9 p -52.14 -46.47 65.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.07 174.7 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.4 mt -114.06 143.78 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 21.2 tt0 -106.11 117.96 35.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -174.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -102.73 5.35 38.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -102.38 -4.31 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.33 -20.83 43.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.75 155.07 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.2 m-85 -112.13 149.03 32.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 37.3 t -118.62 147.56 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -131.43 145.78 51.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.478 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.5 mp -94.94 64.79 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -47.17 -34.14 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -169.42 160.13 7.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.427 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.94 178.34 7.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 6.6 t80 -88.36 -18.07 29.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' A' ' 110' ' ' PRO . 4.6 m-85 56.95 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' TYR . 7.4 t 74.59 140.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.64 -152.92 14.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.5 m 63.64 158.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.58 -68.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -174.08 155.21 2.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.8 166.36 11.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.038 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.1 159.44 2.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.21 125.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -113.34 70.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.49 68.03 0.41 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.508 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.12 -30.44 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -54.93 103.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 92.4 m-70 -83.96 -33.97 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.44 -141.1 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.597 ' CD2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.28 91.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.3 tpp -111.36 154.57 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLN . 3.3 m -99.12 124.57 44.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.07 -64.4 0.8 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.71 -34.53 7.02 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.8 -65.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.92 -56.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 3.0 mt-10 -44.72 -48.07 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -72.38 -42.35 65.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -57.44 -55.95 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.0 mt -54.84 -38.63 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -69.55 -37.41 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.79 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -56.07 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -11.24 72.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' O ' ' OG1' ' A' ' 30' ' ' THR . 1.8 mp0 -56.4 119.54 29.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.05 134.31 17.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.467 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 23.9 m95 74.04 42.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 24.8 m -106.34 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.626 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 8.3 p90 -107.04 167.34 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD12 ' CD2' ' A' ' 10' ' ' HIS . 1.5 pp -166.54 136.03 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.508 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.2 t -97.1 134.13 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -146.05 160.27 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -80.56 130.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.18 138.88 47.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 12' ' ' HIS . 85.3 mt -95.73 -43.93 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -5.65 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -144.14 107.0 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 118.63 -40.9 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.85 177.65 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 81.7 m-85 -143.57 162.05 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.52 143.41 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.2 tp -121.6 92.32 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -82.82 117.6 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' THR . 54.1 t -118.52 132.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.9 tp -82.87 131.65 35.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 p -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.81 16.69 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -108.56 107.64 60.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 173.46 14.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 61' ' ' ARG . 15.6 mtpt -89.93 -45.64 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -117.07 -27.16 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.79 -122.89 4.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.48 6.44 41.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 95.9 p -114.39 153.67 46.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.958 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.5 mt -79.38 122.79 26.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -40.87 150.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG12 ' NE2' ' A' ' 64' ' ' HIS . 93.7 t -114.3 145.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -125.95 119.26 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 62' ' ' VAL . 45.0 m-70 -100.58 110.93 23.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 92.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.3 150.26 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.1 t -121.32 133.74 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.444 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 16.3 mtm -102.56 111.67 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.6 p -95.84 93.3 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.31 129.17 51.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.4 38.03 56.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.5 21.17 70.45 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 130.71 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.433 ' CE2' HD22 ' A' ' 85' ' ' LEU . 22.9 m-85 -96.9 137.16 36.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 t -155.5 151.06 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 m -94.43 7.23 6.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 116.21 12.4 9.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.88 177.08 19.11 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -53.18 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.56 143.6 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 2.6 p -132.84 -174.46 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CD1' ' O ' ' A' ' 81' ' ' THR . 9.6 m-85 -157.79 144.12 17.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.88 -31.61 35.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -133.59 159.93 38.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 74' ' ' TYR . 3.6 mm? -64.16 -25.95 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.7 m -65.3 -51.21 62.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -12.5 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.537 ' CD1' ' CD2' ' A' ' 82' ' ' PHE . 9.5 tt -91.77 -51.02 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.626 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 55.2 t -65.01 -52.36 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.36 -13.01 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -86.1 -50.99 6.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -83.8 -6.49 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' CD ' HG11 ' A' ' 89' ' ' VAL . 1.2 mtpp -67.68 -8.74 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -62.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.3 p -50.98 -51.98 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 175.56 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -119.49 154.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.766 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -117.5 120.84 39.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.77 -174.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.13 -18.02 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -77.61 -1.59 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.09 14.96 58.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.49 154.68 21.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.71 147.57 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.466 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t -122.61 159.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -142.77 150.44 40.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.522 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -99.92 94.62 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 40.0 mtp180 -76.37 -57.59 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -140.71 143.49 32.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.01 168.43 24.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 31.8 t80 -97.12 130.69 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -114.87 116.58 28.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 135.61 38.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.55 69.48 0.13 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.63 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.5 t -58.8 110.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.2 p -135.66 140.7 44.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 t -156.11 -62.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t 65.14 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.74 -72.2 0.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p -53.86 148.83 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' HB2' ' CE2' ' A' ' 8' ' ' TRP . 80.5 p -42.28 142.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.22 50.91 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.89 -40.58 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -51.24 101.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.3 m-70 -81.12 -23.93 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.76 -113.98 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.32 92.28 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.736 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 45.7 ttm -115.44 141.39 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 128.24 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.02 -64.15 2.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.45 -36.02 22.78 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.01 -59.62 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.63 -48.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.99 -52.12 36.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 m -67.97 -41.27 82.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 mp -59.29 -56.68 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.05 -42.71 77.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.7 mt-30 -65.6 -41.21 93.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.12 -36.06 60.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -53.67 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.73 -32.93 5.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLY . 73.7 mt-10 -38.49 114.94 0.84 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 139.95 24.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m95 73.7 46.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 27.9 m -114.1 116.98 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.602 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 6.7 p90 -107.31 165.79 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -166.62 138.69 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 7.8 t -96.88 134.73 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -146.22 145.45 30.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.91 125.53 29.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 135.75 57.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.76 -41.32 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -74.38 -23.23 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -125.81 101.95 29.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.53 -32.14 3.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -87.8 175.06 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 13.1 m-85 -139.28 158.81 43.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 45' ' ' LEU . 67.4 t -122.95 142.56 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 44' ' ' VAL . 58.9 tp -119.43 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -90.14 113.6 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' THR . 62.9 t -114.03 125.99 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.42 122.94 25.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.95 165.53 13.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -96.33 24.72 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.67 109.64 55.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.06 169.49 22.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -89.39 -44.75 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.02 -27.06 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.93 -125.39 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.82 5.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.34 4.14 55.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.4 p -113.47 153.1 45.77 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -75.03 139.88 24.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 52' ' ' PRO . 85.5 mt -77.88 125.89 30.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -45.2 160.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.9 t -121.15 147.14 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.425 HG23 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -120.41 111.3 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -92.87 105.9 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 ' CD1' HG23 ' A' ' 63' ' ' THR . 2.6 mp -96.99 98.7 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -62.19 140.14 58.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.1 t -112.55 105.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.406 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 19.6 mtm -74.52 122.95 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 t -109.22 93.53 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.05 143.86 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.91 32.34 26.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.16 24.53 74.7 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -125.13 142.35 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' HD21 ' A' ' 85' ' ' LEU . 35.6 m-85 -103.85 138.35 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -156.04 147.22 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.66 6.62 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.01 23.66 4.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.72 176.83 16.44 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 150.44 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.3 p -141.13 -179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CG ' ' C ' ' A' ' 81' ' ' THR . 30.8 m-85 -154.71 164.89 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -41.15 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 m -124.11 144.66 49.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 1.8 mm? -52.22 -29.1 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -62.08 -52.84 62.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -16.33 61.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.8 tt -88.03 -49.8 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.602 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 42.0 t -67.36 -38.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.29 -6.35 42.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -91.97 -54.48 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.569 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.417 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 81.3 m-85 -79.2 -7.0 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' CD ' HG11 ' A' ' 89' ' ' VAL . 12.9 mtpt -64.52 -12.07 40.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -62.75 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.417 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.1 p -52.75 -28.47 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.79 -174.43 54.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.1 mt -126.39 147.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.85 132.42 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.11 174.33 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.3 -11.74 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.9 p -92.54 28.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.37 17.17 24.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.59 154.4 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.39 149.39 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 94.5 t -126.91 151.24 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -136.75 149.86 48.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.52 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -98.14 92.8 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.87 141.82 31.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.468 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 29.2 t80 -97.5 122.75 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -91.19 -41.78 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t 69.99 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.54 45.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.62 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.8 m -45.14 156.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -58.22 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -170.95 119.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -157.83 -55.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.76 139.64 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -76.6 143.83 39.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -69.67 -175.1 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.83 70.86 0.42 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.618 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.67 -22.61 13.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.458 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 73.2 t80 -57.14 99.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 111' ' ' TYR . 85.4 m-70 -72.39 -19.87 61.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 106.62 -125.3 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' A' ' 35' ' ' GLU . 1.8 m80 -98.42 87.13 3.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.7 tpp -105.29 151.37 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -87.71 139.14 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' NH1' ' A' ' 34' ' ' ARG . . . -49.96 -64.23 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.54 -30.46 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -72.23 -64.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.07 -44.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.43 -50.98 70.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -67.42 -40.54 85.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.607 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 mp -59.33 -57.59 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.52 -42.73 67.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.0 mt-30 -68.55 -34.87 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -60.2 -30.76 69.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -54.01 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.67 -24.43 26.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -44.96 114.7 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.97 133.05 16.16 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.502 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.8 m95 76.3 45.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 91.8 m -112.62 119.04 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.641 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 9.2 p90 -107.29 167.24 10.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -164.32 139.84 5.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.618 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 8.5 t -96.66 128.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' NH1' ' N ' ' A' ' 15' ' ' GLY . 3.6 ptt180 -146.53 142.4 27.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 1.2 tt0 -72.64 149.17 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 123.51 30.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.31 -30.58 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.43 -34.69 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -116.73 100.27 53.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.5 -34.99 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.84 -176.32 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -148.63 154.09 39.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.52 147.73 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 tp -124.33 95.71 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -88.61 117.97 27.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' CG1' ' A' ' 105' ' ' VAL . 74.2 t -116.37 134.21 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' TRP . 16.8 tp -85.28 124.82 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.14 160.54 15.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -91.98 23.82 3.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.32 110.76 50.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 171.37 18.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -92.03 -44.32 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.08 -27.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.94 -131.2 6.53 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 111.66 3.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.29 -19.05 10.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.2 p -99.65 153.79 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 144.39 30.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD23 ' CA ' ' A' ' 52' ' ' PRO . 38.4 mt -76.68 130.67 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -46.61 168.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.6 t -127.97 151.86 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -129.02 112.33 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -90.55 104.98 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.62 92.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.73 147.24 23.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.06 116.28 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.405 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 11.3 mtm -85.61 104.11 15.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.16 95.16 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.04 135.62 50.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.67 41.22 89.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.55 14.21 48.65 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -117.03 149.86 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.8 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -113.14 140.8 47.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.72 150.45 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -92.28 4.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 115.52 29.59 2.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.21 172.88 19.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -37.68 88.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.39 141.95 58.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.0 p -136.8 -178.41 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 29.2 m-85 -154.86 159.74 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -88.21 -43.05 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -123.69 161.2 25.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 m -66.88 -46.07 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -11.21 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 8.2 tt -94.61 -51.51 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.641 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 55.7 t -63.47 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.64 -12.87 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -86.32 -51.7 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.21 -6.44 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' CD ' HG11 ' A' ' 89' ' ' VAL . 23.2 mtpt -67.25 -9.39 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.7 p -50.97 -56.23 13.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.11 178.33 24.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 105' ' ' VAL . 6.6 mt -124.46 136.09 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.25 129.07 42.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -80.33 168.61 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.6 -12.42 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 p -84.44 -17.34 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.92 -19.83 24.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 150.62 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -101.81 159.5 15.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.502 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 89.6 t -136.39 149.23 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -135.26 153.3 51.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD21 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -85.63 -50.36 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -143.14 140.95 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.0 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.5 t80 -99.33 126.31 45.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -95.77 -47.8 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.557 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 p 60.62 165.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.87 177.68 16.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.26 24.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.7 m -63.18 163.11 10.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -58.95 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.3 109.25 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.59 111.24 22.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.98 134.25 31.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -139.19 86.79 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p 53.35 83.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.32 62.51 0.64 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.113 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -104.69 -28.17 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -57.06 102.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.513 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 96.7 m-70 -79.49 -23.93 42.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.05 -113.2 4.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -102.77 80.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.4 tpp -106.38 145.11 32.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.66 132.16 34.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 34' ' ' ARG . . . -43.56 -61.24 2.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.38 -37.35 11.98 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.459 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.86 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.57 -49.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' CB ' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -49.93 -53.02 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -67.05 -38.76 86.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.621 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.6 mp -61.85 -58.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.11 -46.68 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 78.8 mt-30 -62.73 -50.04 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.24 -37.13 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 99.11 -31.14 8.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLY . 46.3 mt-10 -38.35 113.8 0.75 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.465 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.3 m95 74.16 51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 8.1 m -120.44 118.18 29.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' CE2' HG13 ' A' ' 89' ' ' VAL . 7.9 p90 -107.89 168.92 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.4 pp -167.21 140.19 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.1 t -100.51 128.63 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NH2' ' N ' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.13 143.27 29.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.95 138.97 58.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -80.6 117.38 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.84 -50.31 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -63.83 -30.14 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -121.08 89.26 46.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 111.2 3.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.34 -12.74 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.12 -178.76 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -137.21 156.79 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' OG ' ' A' ' 36' ' ' SER . 58.6 t -117.91 145.31 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 tp -120.08 96.95 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -91.86 111.3 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 105' ' ' VAL . 98.4 t -112.99 131.07 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.9 tp -82.63 125.37 31.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 161.95 14.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.91 22.5 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -111.43 111.05 55.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' N ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.93 174.23 13.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -94.89 -44.06 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.51 -26.96 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 130.54 -130.71 6.25 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.22 5.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.82 -3.57 36.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.583 1.177 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -110.31 153.82 43.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.934 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.99 141.57 26.82 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 52' ' ' PRO . 62.3 mt -76.32 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 157.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.443 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 99.0 t -117.91 144.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 62' ' ' VAL . 1.3 m -122.99 117.11 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 31.4 m-70 -98.06 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -96.0 94.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -57.1 139.0 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.7 113.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.414 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 18.8 mtm -80.75 116.63 20.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.456 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 49.6 t -107.49 93.96 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.51 124.76 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.79 36.09 91.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.94 68.9 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 132.35 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.456 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 21.9 m-85 -98.27 137.57 36.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.63 145.86 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.56 HG22 ' CZ ' ' A' ' 92' ' ' PHE . 4.4 m -91.47 7.19 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.12 16.67 6.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.54 176.93 17.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -47.78 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.08 145.08 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.499 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 4.5 p -131.32 -172.68 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 11.4 m-85 -159.01 154.54 25.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.51 -33.17 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -126.06 147.16 49.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -56.1 -32.12 63.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.1 m -62.41 -53.78 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -22.09 61.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 5.9 tt -81.24 -50.09 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 31' ' ' PHE . 2.4 t -67.72 -45.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.62 -15.2 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -84.19 -55.24 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 66.1 m-85 -79.37 -6.77 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -13.6 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.37 -63.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.6 p -52.75 -23.23 6.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.82 177.81 20.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.427 1.08 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.3 mt -113.57 152.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 24.2 tt0 -111.68 130.76 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -87.39 175.24 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.84 -23.23 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -14.93 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.74 26.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.36 153.99 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.6 m-85 -111.5 151.36 28.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.465 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.1 t -120.67 151.05 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.32 141.57 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.513 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -91.4 81.3 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -63.06 -52.7 61.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.45 146.35 20.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.01 165.29 31.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 64.3 t80 -113.3 133.95 54.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -109.64 168.66 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.61 -46.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.66 161.84 0.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.19 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.2 t -163.81 151.31 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -161.48 152.39 18.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -143.08 163.76 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.14 -158.63 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -54.39 124.88 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 109.958 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NE1' ' A' ' 8' ' ' TRP . 0.6 OUTLIER 51.08 -171.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.87 65.58 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -106.16 -20.71 13.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 66.8 t80 -59.1 103.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 86.9 m-70 -73.28 -32.69 64.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.44 -126.4 8.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.32 81.01 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -110.47 139.98 45.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.4 t -84.11 125.24 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -40.0 -64.47 1.09 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.85 -32.5 2.25 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.19 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.303 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -48.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HG2' ' CB ' ' A' ' 62' ' ' VAL . 1.2 mt-10 -49.72 -52.43 31.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -68.67 -39.8 80.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.618 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.8 mp -60.43 -57.4 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.8 mt -53.07 -37.99 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -71.19 -43.03 68.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.72 -40.02 26.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -54.9 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.14 -28.79 10.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 30' ' ' THR . 67.7 mt-10 -40.64 115.44 1.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 138.8 23.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.487 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 15.6 m95 74.69 47.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.026 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.1 m -115.06 116.6 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CE2' HG11 ' A' ' 89' ' ' VAL . 8.4 p90 -106.88 167.19 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.3 pp -166.72 138.93 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.73 134.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.43 166.15 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -92.11 136.45 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.68 123.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.96 -44.79 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -30.99 71.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.175 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.02 96.1 42.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.77 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.11 -18.94 7.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -100.34 -175.76 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.0 154.01 40.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' HB ' ' NH1' ' A' ' 34' ' ' ARG . 45.2 t -121.26 147.15 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 tp -122.39 99.58 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -91.69 117.18 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG11 ' CG1' ' A' ' 105' ' ' VAL . 69.2 t -116.11 128.52 73.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 tp -79.39 119.88 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.13 161.66 17.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.74 19.79 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -108.77 110.56 61.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.96 10.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -43.97 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.34 -26.78 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 124.22 -122.25 4.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.57 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.81 6.01 58.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 91.6 p -111.63 153.18 44.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.87 27.35 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.85 125.51 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -44.9 165.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 90.8 t -126.8 144.11 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.42 HG21 ' CD1' ' A' ' 65' ' ' ILE . 1.2 m -120.18 116.73 26.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -96.45 112.03 23.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.42 ' CD1' HG21 ' A' ' 63' ' ' THR . 3.0 mp -100.92 92.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -54.22 150.09 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.17 106.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.6 mtm -83.34 123.74 29.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.6 93.43 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.49 134.76 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.4 38.46 90.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.06 34.83 85.39 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -137.02 139.3 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.6 m-85 -102.21 139.91 37.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -155.95 149.89 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.1 6.6 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.91 27.76 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.27 171.44 18.03 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.78 -43.42 98.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.47 152.87 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.9 p -145.91 -178.28 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 27.6 m-85 -157.22 159.8 38.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -38.07 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 m -125.29 151.91 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.032 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.4 mm? -59.49 -30.5 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 m -61.5 -49.72 75.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.86 -13.87 48.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.574 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.7 tt -91.25 -58.79 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 31' ' ' PHE . 10.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.11 -17.31 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.406 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 49.9 t60 -84.5 -47.27 10.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -84.39 -8.55 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -65.04 -11.74 42.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -118.99 -63.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.8 p -53.36 -35.67 60.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.63 -173.87 54.0 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 mt -125.82 145.34 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.271 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -102.74 121.82 43.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -75.67 -177.77 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 -20.08 22.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.83 -4.95 46.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.27 -4.9 67.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.37 152.28 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.02 155.69 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.487 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 85.9 t -131.71 149.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -134.37 149.47 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.492 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -97.96 93.55 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -75.5 -50.42 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.17 146.52 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 174.17 13.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 47.1 t80 -106.56 145.61 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -126.36 148.85 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 p -111.54 155.76 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.92 85.43 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 t -102.57 -64.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.62 158.78 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -77.63 80.84 4.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -59.22 -60.54 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.91 159.08 32.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.27 117.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -60.98 163.42 5.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.48 100.41 0.16 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -168.13 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.17 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 91.2 m-70 -77.83 -26.98 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 -115.45 4.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -94.9 82.12 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 22.8 tpp -111.73 144.71 40.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 129.76 35.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.6 -64.04 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.03 -38.48 4.72 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.89 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.82 -55.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.447 ' HG2' ' CB ' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -44.26 -49.13 9.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -70.92 -44.28 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.613 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.4 mp -56.56 -52.62 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.06 -45.01 91.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.4 mt-30 -62.34 -46.47 88.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.226 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.14 -39.05 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -53.35 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.62 23.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' O ' ' OG1' ' A' ' 30' ' ' THR . 94.9 mt-10 -41.46 115.62 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.0 130.89 13.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.452 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 79.16 54.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 4.2 m -122.13 116.92 25.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CE2' HG12 ' A' ' 89' ' ' VAL . 6.8 p90 -107.58 168.41 9.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.57 136.25 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.1 t -96.64 132.52 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.06 143.67 29.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 2.0 tt0 -70.46 138.74 51.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.1 111.65 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.15 -51.2 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -29.93 71.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -121.83 93.01 48.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.67 -11.97 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -114.64 -178.04 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 35' ' ' GLU . 97.2 m-85 -144.14 155.63 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 HG23 ' NH2' ' A' ' 34' ' ' ARG . 61.7 t -120.1 144.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 tp -120.28 106.6 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -101.07 109.68 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.408 HG13 ' CG1' ' A' ' 105' ' ' VAL . 90.1 t -108.86 134.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.0 tp -84.36 125.9 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -94.14 158.52 15.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.53 16.73 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -106.57 108.98 62.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 174.73 12.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -93.83 -44.31 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.46 -26.87 7.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.63 -127.6 5.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.15 3.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 1.01 30.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.0 p -113.11 154.0 45.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 140.44 25.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.79 126.25 30.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 160.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.447 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 88.2 t -124.95 148.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -124.63 118.97 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 40.6 m-70 -99.8 113.31 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.634 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 3.1 mp -99.86 92.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.84 120.49 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -88.26 125.51 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.41 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 18.5 mtm -93.47 113.15 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -102.5 93.69 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.45 130.35 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.54 84.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.69 24.32 74.05 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -125.83 138.21 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' HD21 ' A' ' 85' ' ' LEU . 52.3 m-85 -102.25 136.75 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 t -155.49 147.34 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 65' ' ' ILE . 3.0 m -92.8 7.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.86 14.55 7.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.64 176.32 19.34 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.79 -37.93 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.06 144.09 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.447 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.4 p -136.2 -177.16 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 81' ' ' THR . 20.9 m-85 -156.07 164.15 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.89 -37.94 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 p -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 74' ' ' TYR . 1.8 mm? -55.59 -27.18 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -64.25 -49.03 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -16.21 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 tt -85.09 -52.35 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 31' ' ' PHE . 14.5 t -67.03 -38.9 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.85 -10.36 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.29 -57.31 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.416 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 88.8 m-85 -75.26 -7.17 53.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -14.64 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -63.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.7 p -52.18 -42.24 63.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.02 -176.29 48.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 98' ' ' GLU . 5.6 mt -121.64 155.15 25.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.4 tt0 -113.2 132.34 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -82.07 178.28 8.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.93 -15.39 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.5 p -81.44 -13.39 58.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.06 -20.48 26.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 153.15 36.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.9 m-85 -110.8 154.61 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.452 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 82.6 t -126.16 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 0.3 OUTLIER -99.98 86.12 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 18.0 mtp-105 -69.98 -44.69 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.473 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -150.72 146.74 19.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.05 -175.58 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 68.5 t80 -121.82 139.86 53.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 18.3 m-85 -120.55 154.17 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.5 p -119.7 137.85 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -163.85 156.81 28.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 -56.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.54 113.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.76 95.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 0.0 110.052 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.94 91.58 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.42 -100.71 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.71 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.28 -174.31 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.77 68.43 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.35 -12.91 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -66.19 100.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -73.19 -28.45 62.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.07 -134.13 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.453 ' CD2' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -81.1 84.48 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.612 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.4 ttm -108.66 139.34 43.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -82.48 129.42 34.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -39.18 -63.99 1.02 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.16 4.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.57 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -49.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -50.47 -53.19 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -39.92 88.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -60.74 -63.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CD1' ' HB3' ' A' ' 46' ' ' SER . 15.7 mt -49.02 -39.54 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 81.2 mt-30 -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.13 -38.53 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -77.39 -56.31 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.82 -18.6 56.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -47.97 116.65 4.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.32 20.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 72.43 44.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 55.5 m -109.99 117.38 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 89' ' ' VAL . 6.2 p90 -107.25 168.18 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.0 OUTLIER -166.73 147.8 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.6 t -104.16 135.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' NH2' ' HA2' ' A' ' 15' ' ' GLY . 13.7 ptt85 -146.32 165.8 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 4.0 mt-10 -88.6 146.03 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 127.28 34.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD21 ' CD2' ' A' ' 12' ' ' HIS . 79.5 mt -82.15 -47.4 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -16.95 64.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -138.25 106.36 7.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.84 -37.3 2.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.31 169.24 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.99 156.88 48.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG11 ' N ' ' A' ' 45' ' ' LEU . 63.0 t -118.07 144.81 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HG11 ' A' ' 44' ' ' VAL . 61.3 tp -123.13 91.3 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 1.8 t -85.68 120.06 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -118.98 128.85 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' TRP . 12.9 tp -80.72 125.13 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.49 160.71 15.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.99 19.61 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.3 112.46 57.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.86 10.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -44.38 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.61 -26.57 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 -129.72 6.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.56 -4.11 19.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 52.7 p -110.92 153.89 43.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 140.7 25.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -73.12 124.24 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 160.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.7 t -122.01 154.82 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -132.77 110.73 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 91.2 m-70 -89.21 110.07 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.05 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -63.24 157.07 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.1 t -130.48 115.56 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.446 ' CE ' ' C ' ' A' ' 76' ' ' VAL . 7.2 mtm -85.98 117.42 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.51 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 17.9 t -104.32 94.11 5.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.51 124.59 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.34 95.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 20.85 50.02 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.53 136.7 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.801 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.51 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -109.86 138.05 46.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.83 153.83 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.538 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 18.0 m -96.03 6.78 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.9 32.27 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.81 177.08 18.9 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -46.24 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.22 139.46 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.492 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 15.4 p -133.68 -175.22 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.524 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 16.7 m-85 -158.62 157.98 32.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -95.71 -34.15 12.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -121.74 137.38 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.67 -28.97 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 -55.1 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -17.11 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 9.0 tt -87.4 -52.11 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.562 HG13 ' CE2' ' A' ' 31' ' ' PHE . 2.3 t -66.93 -39.03 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.99 -14.05 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 27.9 t60 -85.45 -52.71 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 75.2 m-85 -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.63 -16.26 64.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -112.54 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 52.9 p -52.91 -53.44 49.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.82 -175.83 24.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 98' ' ' GLU . 8.1 mt -123.13 149.96 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.757 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' N ' HG22 ' A' ' 97' ' ' ILE . 29.7 tt0 -108.19 125.42 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.52 -176.81 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.74 -11.51 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.83 -5.46 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.17 -2.92 58.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.73 153.24 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -106.44 160.79 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.497 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 41.4 t -138.21 156.86 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -142.05 148.71 38.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -96.43 99.14 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 12.5 mtt-85 -82.4 -61.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -136.49 141.26 34.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 156.35 43.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.631 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 71.4 t80 -99.17 149.22 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.9 t -135.45 137.87 42.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -100.73 -99.95 2.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.47 31.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.9 m -67.94 151.35 47.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.43 118.55 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 t -170.14 92.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.02 113.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.13 158.22 7.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -94.38 75.11 3.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER 53.82 -165.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.59 64.11 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.616 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -108.06 -13.94 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 100.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.543 ' CD2' HD13 ' A' ' 32' ' ' LEU . 88.5 m-70 -73.58 -32.05 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.34 -140.06 15.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.548 ' CD2' HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -71.26 87.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.619 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 ttm -112.23 127.88 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 t -69.12 141.2 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.44 -64.23 4.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.85 -26.73 2.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -74.83 -63.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.49 -51.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -48.87 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.03 -40.9 74.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.9 mp -59.22 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.39 -41.0 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.56 -40.05 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -52.62 -35.93 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CG ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -78.95 -56.65 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.12 -22.47 38.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' OE1' ' CG ' ' A' ' 25' ' ' LYS . 12.2 mp0 -47.12 115.93 3.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.04 137.6 21.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 73.4 40.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.3 m -107.31 116.68 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 6.5 p90 -107.12 166.72 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.25 143.34 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.616 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.3 t -96.61 133.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.48 165.98 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.51 139.65 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.67 110.09 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 ' CD2' ' A' ' 12' ' ' HIS . 14.6 mt -64.1 -43.43 95.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -32.23 72.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.28 95.83 48.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 108.66 2.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -19.99 4.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -171.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -147.06 154.5 41.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.97 146.19 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 tp -123.1 92.63 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 m -85.63 119.7 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.459 HG13 ' CG1' ' A' ' 105' ' ' VAL . 52.5 t -120.28 127.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' TRP . 14.7 tp -80.01 121.21 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.94 160.66 17.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.35 26.52 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -116.27 111.94 42.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.64 19.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -90.2 -44.38 9.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.59 -27.31 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.72 -127.36 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.11 2.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.61 -3.45 17.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.7 p -112.9 153.56 45.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.09 123.23 24.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -41.52 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 64' ' ' HIS . 89.1 t -123.52 145.51 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.404 ' N ' HG11 ' A' ' 62' ' ' VAL . 1.6 m -123.39 118.09 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' HG13 ' A' ' 62' ' ' VAL . 36.3 m-70 -99.45 109.26 21.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 92.55 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 142.83 41.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.38 127.31 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 6.8 mtm -100.85 110.73 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 42.9 t -96.38 94.36 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.91 139.73 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 33.5 39.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.74 69.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -118.62 133.41 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.506 ' CD1' HD22 ' A' ' 85' ' ' LEU . 85.8 m-85 -102.51 140.12 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 t -155.45 149.29 25.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 HG21 ' CZ ' ' A' ' 92' ' ' PHE . 5.7 m -94.85 7.41 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.19 14.72 7.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.087 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.72 176.84 19.05 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -44.48 72.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 91' ' ' HIS . 5.9 mt-10 -59.09 146.4 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.453 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.7 p -134.48 -177.02 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 21.3 m-85 -156.49 155.57 32.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.81 -31.03 14.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 m -128.73 145.94 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.506 HD22 ' CD1' ' A' ' 74' ' ' TYR . 1.5 mm? -55.59 -28.42 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -66.03 -50.55 63.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -15.03 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 82' ' ' PHE . 2.1 tt -87.93 -46.69 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG12 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -71.02 -40.35 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.66 -12.11 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' ' OE1' ' A' ' 80' ' ' GLU . 79.3 t60 -83.79 -59.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 76' ' ' VAL . 95.9 m-85 -75.72 -6.99 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.3 -17.06 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 -63.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.2 p -53.5 -56.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.65 -178.63 25.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 105' ' ' VAL . 5.9 mt -119.66 143.48 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -96.78 129.56 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -85.26 164.31 18.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.31 -14.91 62.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.4 -19.64 35.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.68 -22.66 16.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.9 45.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.86 158.92 15.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.7 t -132.68 148.73 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -135.32 151.8 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.564 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -100.15 101.06 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -84.54 -59.58 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.18 138.35 28.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.0 156.79 43.02 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.633 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 20.9 t80 -80.04 148.53 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -135.52 111.87 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.55 143.32 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.05 101.12 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.03 151.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.4 m -116.74 135.09 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -154.87 135.35 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -76.17 131.8 39.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.62 131.36 2.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -145.91 111.6 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.461 ' HB2' ' CZ2' ' A' ' 8' ' ' TRP . 92.4 p 55.48 175.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 8' ' ' TRP . . . 170.64 99.76 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.614 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -177.12 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -51.8 102.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 95.0 m-70 -78.98 -26.19 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.9 4.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -97.13 81.3 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.453 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 27.3 tpp -109.88 141.09 43.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 m -80.36 128.15 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.96 -61.44 2.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.49 -34.83 6.83 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.465 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.85 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.94 -53.45 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -45.58 -50.32 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.02 -43.34 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.611 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 mp -57.21 -56.0 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.9 mt -53.74 -46.09 70.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.83 -43.93 94.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.3 17.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -53.53 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.43 -23.67 26.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 30' ' ' THR . 87.5 mt-10 -41.15 115.6 1.33 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 19.3 m95 83.82 54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.1 m -123.14 117.41 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 89' ' ' VAL . 8.2 p90 -107.29 168.39 9.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 2.4 pp -165.58 137.0 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.9 t -96.65 130.69 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.33 138.04 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.75 136.25 55.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.34 103.6 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.64 -50.16 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -29.48 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -121.51 93.56 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.73 3.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.34 -21.37 5.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.54 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.28 157.84 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG21 ' NH2' ' A' ' 34' ' ' ARG . 51.3 t -119.75 145.96 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' N ' HG13 ' A' ' 44' ' ' VAL . 62.7 tp -125.85 99.45 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 m -92.83 116.58 29.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG11 ' CG1' ' A' ' 105' ' ' VAL . 76.7 t -114.75 135.96 52.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.9 tp -86.75 128.17 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 162.19 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.33 24.83 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -112.67 107.02 55.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -93.73 -44.16 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.46 -26.92 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.99 -127.21 5.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.69 3.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.3 29.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 80.6 p -110.19 153.75 43.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.03 26.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -77.71 126.45 30.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -46.01 157.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.456 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 87.0 t -120.81 146.4 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -123.79 117.96 26.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 42.5 m-70 -96.55 110.68 23.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.56 93.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -56.53 143.03 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.64 109.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.453 ' HE1' ' CA ' ' A' ' 77' ' ' GLY . 20.5 mtm -80.89 114.62 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.3 t -102.09 93.52 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 108.276 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.36 134.62 51.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.63 33.92 59.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.52 19.38 72.74 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 134.32 55.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.74 136.04 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.24 145.94 22.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.55 7.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.99 15.55 7.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.23 176.83 17.72 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.79 -47.0 70.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.97 143.86 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.49 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 11.9 p -133.03 -175.52 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' A' ' 88' ' ' LEU . 19.5 m-85 -158.88 153.09 23.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.42 -36.45 13.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -121.62 145.93 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 m -64.19 -45.9 86.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -13.11 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.493 ' CD1' ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -92.8 -50.17 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -67.01 -37.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.8 -7.28 49.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -90.25 -52.13 5.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 83.8 m-85 -81.1 -7.45 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.82 -17.44 64.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.78 -62.35 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 77.3 p -54.97 -58.7 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.79 -179.29 21.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.5 mt -124.17 153.35 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -108.13 134.42 51.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -90.5 177.15 6.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.29 -12.28 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -89.31 16.57 7.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.24 17.12 71.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.93 154.16 22.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.5 153.9 22.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 93.0 t -129.97 149.74 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.76 148.6 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 1.3 mp -99.82 83.27 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -67.11 -41.83 85.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -155.7 150.9 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 -170.45 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 55.3 t80 -124.73 147.78 48.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -120.01 148.58 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -121.03 108.22 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.45 80.07 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.44 31.35 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 p -116.85 96.49 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.6 p -45.55 147.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -176.41 106.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.958 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.67 85.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.21 132.92 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -114.66 66.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.428 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 0.5 OUTLIER 175.66 177.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.84 66.5 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.555 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -104.81 -18.09 14.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.1 t80 -60.49 103.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 75.5 m-70 -77.65 -2.64 36.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 92.9 -116.97 5.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -110.98 89.27 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.418 ' CE ' HD21 ' A' ' 21' ' ' LEU . 1.8 tpp -103.17 159.27 15.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.9 t -99.63 129.1 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -37.63 -63.91 0.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.33 -41.03 6.35 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.463 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -63.25 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -53.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 1.1 mt-10 -45.0 -49.88 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -71.24 -42.67 68.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.637 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -56.97 -50.7 71.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.05 -41.72 97.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 85.0 mt-30 -65.54 -43.16 90.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.51 60.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -55.98 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.79 -9.01 78.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' O ' ' OG1' ' A' ' 30' ' ' THR . 45.0 mt-10 -56.48 116.91 14.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.99 132.01 14.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.4 m95 74.01 42.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 11.7 m -107.54 118.95 38.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.9 p90 -107.44 165.66 11.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 2.4 pp -164.07 141.55 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.5 t -96.66 131.01 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 31.0 ptt85 -145.44 141.11 28.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 3.6 mt-10 -75.16 147.55 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' NE2' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -82.02 136.75 35.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 12' ' ' HIS . 86.9 mt -84.68 -51.85 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 p -64.12 -22.5 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.19 98.57 32.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 105.91 2.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.51 -28.52 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.74 171.92 10.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -138.5 156.7 47.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -120.62 144.75 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.6 tp -120.07 100.11 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -94.15 116.98 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.95 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' THR . 53.7 t -117.44 130.53 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 29' ' ' TRP . 12.9 tp -82.05 129.48 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 158.42 15.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.83 21.13 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -113.24 109.78 51.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -91.03 -44.75 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.35 -27.01 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.19 -125.86 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.85 -1.14 28.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.4 p -111.75 153.84 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 146.04 32.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.0 126.3 31.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -44.63 150.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.404 HG11 ' NE2' ' A' ' 64' ' ' HIS . 64.1 t -113.39 150.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.38 112.21 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 55.5 m-70 -98.29 118.87 35.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.93 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 145.96 41.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.0 122.97 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 12.2 mtm -93.59 120.6 34.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.3 t -105.76 93.72 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -125.55 123.65 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.83 37.56 94.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.75 28.06 72.04 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -127.82 136.14 51.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.499 ' CD2' HD22 ' A' ' 85' ' ' LEU . 30.0 m-85 -102.73 138.67 39.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -155.64 149.03 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG22 ' CZ ' ' A' ' 92' ' ' PHE . 11.9 m -94.47 7.14 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 22.65 5.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.97 176.98 16.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -38.5 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.27 146.52 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.407 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.5 p -136.47 -178.9 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 30.6 m-85 -154.71 156.49 36.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.33 -36.05 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -122.12 139.5 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.6 mm? -53.36 -25.94 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.6 m -67.96 -45.47 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -12.17 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 8.3 tt -92.86 -53.74 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 31' ' ' PHE . 43.3 t -62.9 -37.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.22 -6.54 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -94.2 -50.59 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.605 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.438 ' CD2' HD22 ' A' ' 88' ' ' LEU . 74.5 m-85 -80.98 -7.35 59.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -63.38 -13.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 -64.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.3 p -52.04 -27.52 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 -173.9 45.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 98' ' ' GLU . 8.6 mt -127.66 149.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' HG21 ' A' ' 97' ' ' ILE . 11.8 tt0 -108.16 124.69 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.41 175.55 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.5 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.11 -19.21 23.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.31 146.09 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.17 163.1 13.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.483 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 45.8 t -133.67 165.07 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.478 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 53.3 m-85 -151.0 148.86 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.511 HD22 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -100.63 95.81 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -82.04 -33.01 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.32 150.22 7.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 112' ' ' TYR . 18.3 Cg_endo -74.99 156.31 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.637 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t80 -58.98 -40.59 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER 49.77 102.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.37 -44.08 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 144.5 131.43 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.97 28.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.09 124.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.6 p -178.32 -57.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.68 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 90.7 p -44.85 144.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.41 -112.98 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -53.21 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.48 ' CB ' ' CZ2' ' A' ' 8' ' ' TRP . 0.0 OUTLIER 175.86 -174.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.92 47.64 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.636 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.06 -25.16 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 75.7 t80 -55.08 101.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -74.28 -24.27 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.56 -131.96 10.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -88.87 80.2 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 tpp -101.57 150.14 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -88.16 126.44 35.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.41 -64.03 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.27 -35.97 2.79 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.4 -63.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -50.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 3.5 mt-10 -47.54 -53.05 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -68.12 -41.46 81.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.622 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.4 mp -58.17 -56.88 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.1 mt -53.69 -44.46 69.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -63.97 -49.5 72.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -39.42 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -53.06 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -8.09 78.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -56.07 115.5 9.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 79.73 48.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 28.8 m -117.37 117.15 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.8 p90 -106.36 167.53 9.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -165.41 140.17 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.636 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 8.0 t -97.32 132.52 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.7 ptt85 -146.44 164.89 31.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -88.92 139.73 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 127.62 32.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.23 -41.84 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -26.39 63.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -126.94 95.07 37.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.55 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.74 -25.15 5.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -171.34 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -144.32 154.4 43.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.5 t -117.54 145.33 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.1 tp -122.78 98.81 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -92.38 118.12 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 105' ' ' VAL . 65.9 t -117.23 133.95 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 tp -85.37 131.29 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.8 160.74 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.16 21.16 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -109.07 108.82 60.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.68 14.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -94.93 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.22 -26.91 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.47 -125.35 5.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.64 3.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 2.29 32.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 p -113.65 151.72 44.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 Cg_endo -75.04 142.1 27.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.42 127.12 32.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 165.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.4 t -126.21 149.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -127.12 118.09 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 65.7 m-70 -98.75 114.07 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mp -101.72 93.14 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.28 142.27 43.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.27 107.68 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.405 ' CE ' ' C ' ' A' ' 76' ' ' VAL . 7.5 mtm -81.19 126.07 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -110.03 93.57 4.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.68 133.38 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.12 33.18 86.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.3 24.56 70.72 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -127.85 143.04 51.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -104.68 140.15 38.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.1 t -155.74 151.5 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.405 ' C ' ' CE ' ' A' ' 68' ' ' MET . 15.1 m -94.02 7.14 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.05 5.97 16.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.8 174.77 21.92 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.0 -48.31 76.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.93 139.43 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.2 p -130.55 -176.18 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 17.8 m-85 -155.97 164.17 38.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -36.24 8.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -123.12 141.01 52.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -34.1 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -59.23 -47.78 84.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -17.7 64.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tt -85.27 -47.03 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 31' ' ' PHE . 21.6 t -71.55 -43.02 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.3 -6.54 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 58.3 t60 -88.89 -56.24 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.546 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -79.6 -7.41 58.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -62.16 -14.28 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -64.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 46.2 p -52.91 -35.94 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.07 173.28 47.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 98' ' ' GLU . 7.5 mt -111.0 150.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 97' ' ' ILE . 22.6 tt0 -107.36 130.93 54.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.71 -178.9 6.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.81 -2.2 56.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.36 -5.34 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -18.25 51.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.71 154.03 36.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -110.82 161.06 16.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.474 ' CG1' HG13 ' A' ' 47' ' ' VAL . 92.2 t -134.46 147.11 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -131.41 152.47 50.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.525 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.2 mp -101.64 99.33 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 13.2 mtp-105 -82.35 -38.22 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -162.02 147.49 10.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.92 9.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 65.8 t80 -113.52 149.38 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.9 OUTLIER -121.62 164.66 16.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -145.15 120.46 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.39 141.46 15.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.55 23.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 m -111.76 113.76 26.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.2 p 178.48 145.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.49 -48.34 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -51.06 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.8 176.1 50.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -177.5 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 5.2 p -77.72 154.54 31.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.56 33.95 0.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.568 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.32 -25.94 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.44 106.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.8 m-70 -79.8 -30.24 40.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.637 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.33 -122.77 6.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.515 ' CD2' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -89.19 90.62 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.617 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.4 tpp -113.25 140.14 48.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' GLN . 9.1 m -83.7 125.92 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.66 -64.05 0.92 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.97 -32.36 4.66 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.33 -65.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.9 -52.07 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 1.5 mt-10 -47.79 -49.57 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -71.26 -41.32 70.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 mp -57.98 -57.58 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.3 mt -51.71 -39.3 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.47 -47.53 60.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.23 -38.44 5.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -54.9 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 -7.66 81.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' A' ' 30' ' ' THR . 56.2 mt-10 -57.65 116.78 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.01 132.16 15.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.478 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.94 39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 18.2 m -105.04 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.535 ' CE2' HG11 ' A' ' 89' ' ' VAL . 6.9 p90 -107.3 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.71 139.48 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.568 HG21 ' CE3' ' A' ' 8' ' ' TRP . 10.9 t -96.11 132.84 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -145.24 148.69 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.76 137.51 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 126.68 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 12' ' ' HIS . 7.6 mp -84.61 -37.78 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -17.95 60.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -133.89 105.93 11.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -37.96 3.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -175.93 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -146.79 161.54 40.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -119.94 146.58 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.3 tp -127.35 96.8 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -90.11 122.3 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 31' ' ' PHE . 52.2 t -120.61 135.79 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 tp -87.22 130.86 34.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.71 163.16 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.29 22.83 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.89 113.16 39.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.473 ' CA ' HD22 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.0 168.45 24.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.772 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -96.9 -40.52 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -123.8 34.34 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.07 -134.69 34.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.34 20.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.64 -8.36 68.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.8 p -110.69 153.57 43.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.28 39.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.473 HD22 ' CA ' ' A' ' 52' ' ' PRO . 52.6 mt -81.84 130.78 35.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -45.93 154.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 97.4 t -113.94 149.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -131.24 120.2 22.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.94 118.52 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.47 92.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 145.45 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.31 121.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.429 ' HE2' ' CA ' ' A' ' 77' ' ' GLY . 16.4 mtm -93.95 119.77 33.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.5 p -96.64 97.1 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.368 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.54 122.42 37.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.93 96.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.11 13.54 62.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -115.78 138.64 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CD2' HD21 ' A' ' 85' ' ' LEU . 29.0 m-85 -99.21 142.25 30.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -155.37 144.68 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 HG12 ' CZ ' ' A' ' 92' ' ' PHE . 3.2 m -88.35 6.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' CA ' ' HE2' ' A' ' 68' ' ' MET . . . 115.82 5.41 18.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.97 176.06 27.95 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -38.77 79.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.95 150.1 43.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 1.2 p -137.23 -174.6 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 9.2 m-85 -158.34 154.84 27.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.81 15.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 149.89 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.558 HD21 ' CD2' ' A' ' 74' ' ' TYR . 2.3 mm? -57.04 -30.65 64.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -61.19 -48.72 80.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -13.58 62.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.561 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 10.5 tt -89.88 -50.89 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.535 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.7 t -65.15 -38.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.48 -9.18 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -87.97 -52.72 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 76' ' ' VAL . 90.5 m-85 -81.36 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.128 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -15.77 58.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 -63.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 82.8 p -53.12 -36.74 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.15 -172.7 54.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 105' ' ' VAL . 7.4 mt -127.82 152.83 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.413 ' N ' HG22 ' A' ' 97' ' ' ILE . 14.8 tt0 -110.76 124.09 51.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -75.63 172.51 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.32 -17.99 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.95 -14.89 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.28 -9.12 45.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.97 148.3 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -98.76 162.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.478 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 72.6 t -137.93 156.98 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -141.83 148.68 39.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -100.69 88.66 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 15.8 mtp-105 -71.68 -55.7 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -140.66 147.52 49.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 21.1 t80 -101.07 123.89 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.81 98.36 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -90.77 166.01 13.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -118.88 -179.71 16.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 t -126.73 141.52 51.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.71 136.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -103.24 160.84 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -139.92 102.96 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.5 -94.1 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.47 128.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.513 ' CB ' ' NE1' ' A' ' 8' ' ' TRP . 1.3 m -55.32 -174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.71 69.91 0.41 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.537 ' CE3' HG22 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.85 -17.58 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.59 99.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 74.6 m-70 -69.89 -27.61 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.37 -135.81 13.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -82.86 91.74 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.3 ttm -111.82 148.21 34.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -85.66 124.77 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.15 -63.58 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.9 -38.12 10.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.71 -62.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -51.76 -47.65 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -71.2 -37.72 72.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.608 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.0 mp -63.09 -56.6 15.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 mt -55.99 -39.25 71.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 86.3 mt-30 -69.32 -51.59 35.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.7 -34.06 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -76.73 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.46 46.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -48.61 113.27 2.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.24 23.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 21.5 m95 71.63 41.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.508 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 79.8 m -110.21 116.57 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CE2' HG12 ' A' ' 89' ' ' VAL . 6.3 p90 -106.71 166.64 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 111' ' ' TYR . 0.5 OUTLIER -163.95 140.62 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG22 ' CE3' ' A' ' 8' ' ' TRP . 10.8 t -96.8 132.74 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.1 ptt85 -145.94 146.79 31.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 140.13 45.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.24 143.08 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -94.28 -51.11 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -64.9 -25.03 67.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -120.43 103.15 44.62 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.22 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.38 -26.31 8.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.31 164.26 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -127.67 157.77 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 45' ' ' LEU . 37.3 t -118.75 146.48 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' N ' HG12 ' A' ' 44' ' ' VAL . 61.2 tp -124.56 101.93 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -94.37 122.07 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.425 HG13 ' CG1' ' A' ' 105' ' ' VAL . 55.0 t -122.8 132.83 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' TRP . 15.2 tp -86.86 116.86 25.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.72 161.21 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.54 24.87 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -114.4 111.77 46.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 174.81 12.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -95.14 -44.26 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.93 -26.88 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.41 -131.21 6.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.51 2.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.06 -4.54 11.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -113.14 153.61 45.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 109.976 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.1 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 52' ' ' PRO . 66.2 mt -75.12 128.57 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 96.6 t -128.05 146.49 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -125.82 118.24 25.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 62' ' ' VAL . 60.9 m-70 -99.65 108.84 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.656 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 97' ' ' ILE . 2.7 mp -94.43 95.17 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -61.59 131.3 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.32 124.81 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 15.2 mtm -97.95 112.56 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.458 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 52.3 t -100.06 94.19 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 108.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.3 138.14 52.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.8 35.21 66.93 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.79 28.73 73.75 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -133.52 138.6 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.523 ' CD1' HD22 ' A' ' 85' ' ' LEU . 63.6 m-85 -102.42 140.35 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -155.58 144.58 20.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.52 HG23 ' CZ ' ' A' ' 92' ' ' PHE . 2.6 m -90.58 7.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 7.23 14.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.02 176.74 27.23 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -41.69 74.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.91 150.67 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.6 p -138.79 -177.4 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' C ' ' A' ' 81' ' ' THR . 25.3 m-85 -157.59 163.54 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -98.9 -36.09 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 p -119.74 146.81 45.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.523 HD22 ' CD1' ' A' ' 74' ' ' TYR . 1.4 mm? -57.96 -37.43 74.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.6 m -58.37 -45.65 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -21.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.3 tt -81.74 -48.32 11.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.555 HG12 ' CE2' ' A' ' 31' ' ' PHE . 2.5 t -68.45 -42.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.29 -12.74 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -85.71 -54.34 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.52 ' CZ ' HG23 ' A' ' 76' ' ' VAL . 71.3 m-85 -79.04 -7.32 58.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -64.53 -13.3 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.3 p -51.89 -62.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 105' ' ' VAL . . . 110.75 168.69 19.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.459 ' CG2' HG12 ' A' ' 65' ' ' ILE . 5.6 mt -109.97 136.72 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -86.1 135.5 33.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -94.65 -176.2 3.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.19 -6.14 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 14.11 29.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.68 70.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.86 148.56 32.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.32 159.54 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.494 ' O ' ' CA ' ' A' ' 96' ' ' GLY . 95.9 t -127.19 148.33 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -123.76 143.23 50.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 1.8 mp -98.71 82.67 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.6 mtp-105 -61.12 -63.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -136.95 147.04 57.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.95 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.6 t80 -99.82 133.07 44.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -120.65 110.28 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.8 p -87.92 -57.04 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 161.75 -171.12 37.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 128.96 11.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -125.52 119.53 28.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -150.93 125.23 9.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -149.47 124.57 10.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -152.62 162.61 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.23 87.97 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.94 -62.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.963 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -138.29 150.81 47.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.02 36.92 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.631 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.57 -42.71 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -51.36 106.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 87.8 m-70 -86.1 -29.93 22.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.12 -111.48 3.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 91.33 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.518 ' HE3' ' CG ' ' A' ' 10' ' ' HIS . 41.9 ttm -116.28 155.67 27.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.58 127.26 49.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.4 -63.18 1.42 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.4 -40.95 6.41 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.07 -63.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.13 -51.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.52 -50.08 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -68.99 -38.22 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.597 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.5 mp -64.17 -61.6 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -48.79 -42.79 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.5 mt-30 -69.08 -48.9 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.8 -34.83 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 103.65 -32.31 7.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' GLY . 98.5 mt-10 -38.01 113.69 0.71 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.98 138.91 23.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.498 ' CB ' ' HG3' ' A' ' 108' ' ' ARG . 15.8 m95 74.41 47.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.3 m -115.41 115.53 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 110' ' ' PRO . 8.9 p90 -107.32 166.0 10.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -164.11 136.57 4.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.631 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.3 t -96.96 139.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -145.74 159.7 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.48 135.96 34.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 80.2 p -70.85 126.42 29.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -94.25 -42.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -87.53 -25.24 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.456 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -93.39 137.36 23.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 122.82 7.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.89 59.34 1.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.535 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -138.08 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 13.5 m-85 -144.89 157.53 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.0 t -122.77 142.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 tp -117.05 99.36 7.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -91.41 110.49 21.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG13 ' CG1' ' A' ' 105' ' ' VAL . 92.5 t -112.98 126.51 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.6 tp -77.89 124.47 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -88.38 165.97 14.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -97.47 14.65 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -104.96 111.81 65.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' N ' HD22 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.05 171.62 17.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -91.45 -44.53 9.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.92 -26.98 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.04 -129.71 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.72 -5.45 22.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -110.86 153.5 43.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 52' ' ' PRO . 83.9 mt -76.53 127.31 32.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -45.2 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.0 t -120.29 153.12 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -128.86 113.62 15.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -93.38 101.91 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -91.87 96.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 133.72 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.15 126.57 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.405 ' HE2' ' N ' ' A' ' 77' ' ' GLY . 16.6 mtm -93.37 110.95 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 19.7 t -99.7 93.27 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.56 142.82 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.61 31.44 52.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.44 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -121.57 148.88 43.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 69.9 m-85 -111.44 139.74 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.6 t -155.92 150.06 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG22 ' CZ ' ' A' ' 92' ' ' PHE . 4.2 m -93.4 6.54 6.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' HE2' ' A' ' 68' ' ' MET . . . 113.84 24.77 4.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.11 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.78 71.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.75 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.505 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.4 p -134.11 -174.55 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 81' ' ' THR . 16.1 m-85 -159.24 158.48 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -94.37 -36.43 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 p -125.17 146.44 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.72 -32.79 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 m -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -17.9 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.6 tt -85.48 -48.74 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -68.64 -54.65 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.14 -18.11 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' HD2' ' CD2' ' A' ' 92' ' ' PHE . 31.3 t60 -79.3 -61.29 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 76' ' ' VAL . 53.5 m-85 -72.71 -6.6 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.67 -15.46 62.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 2.0 pttt -115.0 -62.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.413 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 43.6 p -52.3 -57.24 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 172.75 26.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.2 mt -111.41 155.35 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.8 tt0 -115.06 130.02 56.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -83.43 173.12 11.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.0 -27.34 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t -69.32 -13.33 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.72 -21.96 29.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.98 154.64 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.3 m-85 -111.78 150.66 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.468 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 88.7 t -122.51 147.02 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -130.87 154.42 48.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.543 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -102.08 95.76 6.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.498 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 13.2 mtp180 -76.34 -50.35 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -146.77 141.23 15.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.93 160.7 40.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.597 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.6 t80 -91.97 111.91 23.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -80.62 -59.19 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 t 65.66 99.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -150.13 118.52 0.94 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.0 33.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.06 137.37 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 m -169.15 115.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.953 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -159.65 158.78 32.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.021 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -154.37 73.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.76 -177.48 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -91.62 103.39 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' HB3' ' NE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER 55.88 -172.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.0 68.59 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.472 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.75 -11.0 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 78.5 t80 -67.48 100.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -74.31 -24.28 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.13 -137.24 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -81.64 102.82 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.601 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.457 ' CE ' HD23 ' A' ' 21' ' ' LEU . 39.1 ttm -121.67 143.23 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -83.48 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.24 -59.84 2.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.54 26.78 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.97 -63.43 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.7 -48.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.01 -48.85 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -69.29 -39.53 78.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.9 mp -60.6 -57.34 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.7 mt -53.71 -39.59 65.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.8 mt-30 -69.59 -42.86 73.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.34 -35.39 38.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -77.44 -62.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.98 -14.95 62.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 30' ' ' THR . 0.1 OUTLIER -55.56 119.4 24.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.01 132.88 15.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.2 m95 75.09 46.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 27' ' ' GLU . 11.6 m -111.26 116.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.552 ' CE2' HG13 ' A' ' 89' ' ' VAL . 7.4 p90 -106.71 166.14 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -163.35 144.52 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.9 t -102.07 128.66 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -145.9 147.78 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.5 tt0 -72.95 146.5 46.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.03 135.34 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.75 -45.36 11.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -29.2 70.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -128.3 106.42 19.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.54 -40.31 2.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.39 171.78 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.763 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -135.6 160.15 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.52 146.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.0 tp -122.22 96.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -89.77 120.21 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' THR . 79.7 t -117.72 136.47 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 tp -86.67 126.5 34.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 159.68 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.24 22.66 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -115.25 111.43 44.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -96.96 -43.16 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.68 -27.31 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.52 -123.3 5.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.38 4.57 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.5 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.2 p -112.0 153.14 44.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.0 144.16 29.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.2 mt -81.66 125.92 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.13 155.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.6 t -118.77 149.03 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.19 111.93 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.9 111.07 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.8 93.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -57.59 154.59 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 t -127.46 126.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 mtm -96.48 111.76 23.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 38.1 t -98.97 93.83 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -128.14 141.47 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.14 43.23 50.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.89 62.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -133.08 143.05 49.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -110.56 139.96 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.4 t -155.69 151.16 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG23 ' CZ ' ' A' ' 92' ' ' PHE . 11.6 m -92.77 7.15 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 10.79 10.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.07 173.34 20.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -48.5 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.57 148.66 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.418 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.7 p -138.49 -178.87 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CG ' ' C ' ' A' ' 81' ' ' THR . 29.9 m-85 -155.46 161.61 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.53 -40.02 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -116.86 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -50.03 -35.24 24.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 m -58.63 -53.02 63.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -17.55 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 74' ' ' TYR . 8.1 tt -87.44 -54.16 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.552 HG13 ' CE2' ' A' ' 31' ' ' PHE . 5.3 t -64.35 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.35 -15.37 60.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 82.9 t60 -83.44 -57.35 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' CZ ' HG23 ' A' ' 76' ' ' VAL . 91.3 m-85 -75.4 -6.86 52.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -68.15 -10.93 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 58.9 p -54.18 -51.7 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.7 -174.58 23.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.7 mt -126.26 151.62 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -111.31 121.32 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.88 -173.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.03 -22.54 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 m -72.94 -21.74 60.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.52 6.73 21.35 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.161 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.02 151.91 21.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.86 159.15 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.471 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.5 t -132.4 158.86 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -142.57 151.61 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 107' ' ' LEU . 0.6 OUTLIER -105.29 94.4 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -44.81 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -148.58 145.88 21.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -74.98 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 30.5 t80 -105.32 128.72 53.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.439 ' O ' ' NZ ' ' A' ' 25' ' ' LYS . 39.2 m-85 -119.5 106.33 12.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -97.48 168.35 10.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.62 146.83 7.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.63 30.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -124.02 132.85 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -171.39 145.67 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -117.84 119.6 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -100.01 -61.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.25 -131.69 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.5 90.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CZ2' ' A' ' 8' ' ' TRP . 1.9 p -95.9 -175.92 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.14 41.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.497 ' CZ2' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -112.76 -4.07 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.86 100.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.6 m-70 -69.45 -33.91 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.24 -119.64 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -96.52 83.96 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.41 ' CE ' HD22 ' A' ' 21' ' ' LEU . 32.4 ttm -106.99 140.25 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -79.41 129.05 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.22 -62.3 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.0 6.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.461 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -66.09 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.53 -55.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.47 -48.19 26.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -70.69 -40.14 73.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.5 mp -60.33 -59.58 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.2 mt -51.19 -40.46 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.28 -49.73 58.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.29 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 102.31 -32.93 6.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' O ' ' OG1' ' A' ' 30' ' ' THR . 93.0 mt-10 -38.05 115.67 0.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.92 23.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.485 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 18.3 m95 72.84 50.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 6.4 m -118.3 119.35 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 89' ' ' VAL . 4.8 p90 -106.76 170.48 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 3.7 pp -167.18 136.73 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG23 ' CZ3' ' A' ' 8' ' ' TRP . 14.0 t -96.49 124.63 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.66 142.17 27.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 150.36 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.7 130.42 34.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -77.55 -35.85 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.57 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -112.27 97.43 39.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -26.5 7.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -94.84 176.78 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.93 160.56 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -122.97 147.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.6 tp -123.71 93.95 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -88.39 119.39 28.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' THR . 48.8 t -120.62 133.78 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.1 tp -84.33 126.03 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.12 159.08 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' CG ' ' CZ2' ' A' ' 29' ' ' TRP . 4.8 p-10 -91.03 25.84 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -118.08 113.16 37.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -91.64 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.44 -27.13 7.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.68 -127.36 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.01 5.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.25 -1.07 46.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.4 p -110.35 153.67 43.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 141.45 26.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.72 125.8 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -44.08 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.2 t -120.49 150.6 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.454 HG21 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -127.16 114.01 17.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -99.38 111.28 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.618 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' CD1' HG21 ' A' ' 63' ' ' THR . 2.7 mp -99.44 93.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -53.35 147.99 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.3 t -127.57 110.93 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 mtm -88.59 123.37 33.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 24.4 t -102.36 95.94 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -122.35 133.41 54.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.83 23.86 61.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 -11.25 61.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -92.49 155.97 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 69' ' ' CYS . 74.9 m-85 -116.38 145.09 43.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.02 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.93 7.16 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 17.68 6.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.09 174.2 15.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.14 133.1 54.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.1 p -127.52 176.82 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -149.55 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.56 -43.9 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -125.47 153.25 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.72 -30.81 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -60.37 -44.23 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -18.05 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.6 tt -83.53 -49.16 9.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 31' ' ' PHE . 13.9 t -69.32 -37.98 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.29 -6.72 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -89.12 -52.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.648 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -81.6 -7.51 59.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' CD ' HG13 ' A' ' 89' ' ' VAL . 1.9 mtpp -65.49 -12.65 54.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -64.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.9 p -52.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.25 174.46 18.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 105' ' ' VAL . 5.5 mt -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.04 130.56 36.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.11 161.55 21.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.38 -15.73 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -81.82 -18.94 42.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.45 29.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.45 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.27 153.63 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.485 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 98.1 t -129.34 148.63 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -132.24 151.95 51.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD21 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -101.53 84.39 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -26.53 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -178.15 160.16 1.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.53 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 18.5 Cg_endo -75.02 169.3 22.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.628 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.3 t80 -78.29 -14.66 59.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.53 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 12.7 m-85 37.28 89.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.2 p -51.29 -40.05 58.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.31 -141.12 16.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.7 5.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 144.28 28.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t 40.68 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -100.4 163.88 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -160.07 113.68 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.69 126.88 5.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -128.12 93.64 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p 46.78 85.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.949 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.84 61.42 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.633 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -149.51 -46.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 32.7 t80 -49.94 102.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.7 m-70 -83.43 -26.33 30.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.627 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.13 -113.69 4.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 92.87 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.569 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' SER . 13.1 tpp -120.75 147.94 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 13.5 t -80.72 142.12 34.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.477 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -56.27 -64.3 4.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.73 -29.91 2.11 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.473 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -70.64 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' ' NH1' ' A' ' 34' ' ' ARG . . . -38.13 -49.17 1.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' HG2' ' CG1' ' A' ' 62' ' ' VAL . 0.8 OUTLIER -52.42 -48.92 65.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -68.93 -43.57 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.8 mp -57.21 -56.39 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 46' ' ' SER . 36.8 mt -53.1 -48.27 67.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.11 -50.44 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.66 -39.99 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -53.0 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.39 -25.18 21.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 26' ' ' GLY . 99.1 mt-10 -38.42 112.42 0.67 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 128.58 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.453 ' HB2' ' O ' ' A' ' 28' ' ' PRO . 20.8 m95 79.37 56.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 75.9 m -125.62 118.61 26.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 107' ' ' LEU . 7.4 p90 -107.06 165.97 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -165.06 134.65 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.633 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.7 t -96.57 129.27 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.477 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 3.5 ptt-85 -146.62 136.65 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.68 129.27 40.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 133.88 54.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -35.49 17.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 m -74.43 -32.17 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.11 100.45 33.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -24.67 8.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.99 -176.79 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -144.29 155.33 43.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 HG12 ' NH2' ' A' ' 34' ' ' ARG . 41.4 t -123.23 145.2 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tp -114.67 109.65 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.82 108.41 19.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' THR . 99.4 t -110.56 135.11 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' TRP . 13.1 tp -85.94 126.7 34.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 160.12 14.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.62 22.7 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -111.19 109.3 56.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.01 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -92.42 -45.13 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.18 -26.7 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.52 -126.5 4.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 124.93 8.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.44 -0.57 63.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.6 p -108.12 153.98 41.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.39 27.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 HD23 ' CA ' ' A' ' 52' ' ' PRO . 61.0 mt -80.74 126.43 31.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -45.52 164.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 19' ' ' GLU . 97.2 t -129.52 147.23 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.55 130.44 53.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.29 109.17 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -97.84 93.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -54.9 134.7 48.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.93 104.61 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -72.3 118.24 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.2 t -107.06 93.84 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.58 141.23 51.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.84 37.22 51.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.63 71.41 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 34.0 m-85 -101.8 139.86 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.75 143.66 20.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.62 7.0 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 4.23 19.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.0 176.34 21.93 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.26 -56.85 14.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.98 144.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.528 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 2.0 p -137.65 -172.87 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.528 ' CG ' ' C ' ' A' ' 81' ' ' THR . 11.7 m-85 -160.42 170.6 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.73 -37.26 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -125.39 150.7 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.8 mm? -59.18 -32.92 70.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.2 m -60.66 -45.78 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.414 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -16.79 63.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.0 tt -89.36 -50.12 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.469 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -64.63 -42.33 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.43 -6.87 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' CD2' ' HZ ' ' A' ' 82' ' ' PHE . 33.4 t60 -93.16 -49.69 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -83.28 -6.91 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.94 -8.34 36.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -62.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.3 p -51.7 -45.8 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.24 -176.29 32.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.2 mt -128.15 150.25 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 22.7 tt0 -112.83 132.3 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.17 169.2 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 -17.39 50.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -18.44 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.97 -23.09 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.77 152.5 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.5 m-85 -109.48 147.83 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.445 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 60.4 t -119.25 162.45 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.42 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 29.5 m-85 -147.27 148.96 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -98.74 95.82 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -50.11 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -145.87 141.48 16.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 166.41 29.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.9 t80 -96.74 105.16 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -73.71 -47.14 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t 60.03 155.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.056 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.62 -142.02 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -51.25 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.97 135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.25 108.88 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.063 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 t -108.06 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t 55.95 98.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.13 159.75 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -164.25 156.21 16.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -110.26 113.12 25.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' A' ' 112' ' ' TYR . . . -131.4 77.52 0.39 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -143.88 -47.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 43.2 t80 -50.68 101.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.521 ' CG ' ' HE1' ' A' ' 13' ' ' MET . 87.2 m-70 -80.84 -33.29 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.16 -109.3 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CD2' HD22 ' A' ' 37' ' ' LEU . 2.3 t-160 -97.83 92.38 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.521 ' HE1' ' CG ' ' A' ' 10' ' ' HIS . 47.0 ttm -119.02 155.55 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -100.69 125.56 47.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -37.53 -64.03 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.53 -35.68 5.64 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.54 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.723 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.22 -52.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.7 OUTLIER -47.38 -49.57 24.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.82 -40.63 72.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.9 mp -59.73 -56.92 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 mt -52.43 -39.55 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -71.11 -43.46 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.25 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -55.72 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 95.41 -29.25 9.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' OG1' ' A' ' 30' ' ' THR . 55.8 mt-10 -38.33 115.85 0.87 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.0 136.96 21.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.84 50.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 9.7 m -118.35 117.69 29.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.599 ' CE2' ' CG1' ' A' ' 89' ' ' VAL . 6.3 p90 -107.52 168.18 9.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.94 136.0 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.665 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.8 t -96.7 134.48 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.8 ptt85 -146.59 142.65 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 tt0 -67.15 137.64 56.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 136.81 49.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 12' ' ' HIS . 83.4 mt -96.08 -22.89 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.92 -26.83 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -137.35 120.81 11.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 110.9 3.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.89 -41.37 1.81 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' CG ' ' SG ' ' A' ' 69' ' ' CYS . 1.0 OUTLIER -71.85 169.97 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 59.8 m-85 -140.82 159.85 41.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.52 140.97 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tp -116.6 102.54 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -96.3 110.98 23.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 HG11 ' CG1' ' A' ' 105' ' ' VAL . 71.4 t -113.86 129.25 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.4 tp -81.2 123.43 28.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -89.06 160.55 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -92.55 24.12 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -114.2 110.13 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' N ' HD21 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.07 173.39 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -94.03 -43.98 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.22 -27.04 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.38 -126.26 5.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.43 1.63 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -113.89 153.85 46.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.28 32.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD21 ' N ' ' A' ' 52' ' ' PRO . 88.3 mt -81.82 127.08 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.84 149.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.409 ' CB ' ' HG2' ' A' ' 19' ' ' GLU . 87.4 t -111.83 151.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -128.56 119.02 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 63.5 m-70 -100.82 106.66 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.03 98.72 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -61.37 133.72 56.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.77 111.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -75.57 106.42 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.405 ' SG ' ' CG ' ' A' ' 42' ' ' ASP . 14.3 p -94.13 93.07 7.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.48 137.49 53.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.27 52.45 32.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.21 28.26 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -132.5 148.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -108.96 142.66 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 t -155.81 150.43 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.448 HG11 ' CZ ' ' A' ' 92' ' ' PHE . 3.7 m -94.03 6.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.4 18.09 6.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.96 176.83 16.71 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.72 -32.47 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.82 136.28 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.425 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.8 p -128.68 -178.23 4.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.3 m-85 -155.2 165.13 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.41 -41.23 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 p -124.53 153.43 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.37 -31.93 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -59.7 -53.54 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.34 -15.62 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.411 HD11 ' CD2' ' A' ' 82' ' ' PHE . 9.6 tt -91.14 -53.55 4.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.599 ' CG1' ' CE2' ' A' ' 31' ' ' PHE . 11.1 t -62.15 -45.38 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.97 -7.76 38.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -93.86 -52.03 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.448 ' CZ ' HG11 ' A' ' 76' ' ' VAL . 61.3 m-85 -80.56 -7.18 59.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -63.77 -12.96 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -63.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 45.6 p -53.05 -23.37 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 -174.12 40.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.5 mt -124.22 149.99 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 tt0 -108.95 124.29 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -77.8 178.78 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.46 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -13.39 62.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.14 22.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.71 152.32 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.2 m-85 -108.6 151.45 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 106' ' ' TYR . 45.0 t -120.55 165.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.482 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 54.9 m-85 -149.11 142.45 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -93.08 87.19 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -70.87 -57.85 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -139.04 141.19 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.04 156.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 72.4 t80 -100.51 131.51 46.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.5 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.1 m-85 -107.68 172.9 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 p -126.42 118.83 25.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.11 133.49 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -154.41 116.61 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.54 86.2 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.507 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 55.3 t80 -54.92 106.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CD2' HD13 ' A' ' 32' ' ' LEU . 93.0 m-70 -90.9 15.88 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 82.24 -94.6 1.7 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.9 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.859 ' HE3' HD22 ' A' ' 21' ' ' LEU . 2.5 tpp -90.29 158.31 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.67 130.13 44.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.67 -63.86 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.34 -42.1 25.09 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.769 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.84 -52.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -46.72 -49.96 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -69.51 -43.6 72.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.859 HD22 ' HE3' ' A' ' 13' ' ' MET . 2.5 mp -57.8 -56.15 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 46' ' ' SER . 23.5 mt -55.71 -43.91 76.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.07 -43.73 94.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.44 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -52.12 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.56 62.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.778 ' O ' HD23 ' A' ' 48' ' ' LEU . 68.2 mt-10 -50.31 114.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.4 m95 74.8 52.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.0 m -121.89 119.2 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.743 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -107.42 167.25 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -165.79 141.52 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.9 t -96.68 132.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -146.33 134.39 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 15.6 mt-10 -66.25 133.73 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.69 107.21 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.4 -38.22 90.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -31.74 62.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.7 95.97 45.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.44 5.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.48 -31.45 6.17 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.12 -173.46 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 64.5 m-85 -149.9 163.89 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' NH2' ' A' ' 34' ' ' ARG . 99.1 t -125.97 143.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.6 tp -119.61 99.91 6.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -91.07 121.03 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.724 HG22 ' CB ' ' A' ' 31' ' ' PHE . 77.2 t -119.21 134.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.4 tp -84.61 126.03 32.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.06 158.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.45 23.08 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -111.6 109.99 55.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.628 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.95 173.1 15.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -93.5 -44.24 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.36 -26.81 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.67 -126.76 5.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.63 4.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.91 -1.97 38.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.2 p -109.48 152.95 43.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.85 28.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.0 mt -78.7 126.61 30.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.01 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.7 t -130.06 147.79 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -124.77 117.56 24.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 92.1 m-70 -94.48 109.3 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.98 92.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -55.96 151.93 10.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.8 t -121.16 114.54 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.505 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.9 mtm -87.1 103.91 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 p -88.02 93.97 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.44 140.28 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.95 47.25 66.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.45 24.6 24.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -132.13 150.93 52.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 35.1 m-85 -108.19 143.95 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.1 t -155.75 147.98 23.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.8 m -92.78 7.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.19 -0.02 20.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.12 176.16 38.71 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -29.75 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.76 144.9 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.4 p -132.92 -174.99 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 88' ' ' LEU . 23.9 m-85 -160.97 165.02 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.07 -41.02 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -124.67 148.39 48.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.6 mm? -55.7 -25.16 38.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -65.22 -51.88 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -65.41 -13.09 57.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tt -93.38 -54.91 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -60.3 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.4 -19.41 55.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -82.21 -54.82 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.1 m-85 -76.26 -7.27 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -64.68 -16.81 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -62.68 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 44.5 p -53.26 -23.96 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.31 -171.03 44.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.0 mt -129.33 155.5 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.749 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -116.43 129.89 56.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.96 -173.9 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.91 -24.99 16.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -7.2 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.64 59.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.63 152.78 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.36 156.65 18.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 96.6 t -130.63 154.48 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.93 141.47 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -91.67 79.71 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -57.48 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -142.35 145.27 34.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 32' ' ' LEU . 25.5 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.607 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.402 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.1 t80 -51.07 101.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 95.3 m-70 -90.17 -14.29 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.72 -122.24 7.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.163 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -101.14 81.64 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.414 ' HE3' HD22 ' A' ' 21' ' ' LEU . 6.9 tpp -97.42 148.26 23.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.941 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.69 -64.13 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.24 -35.7 14.91 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.77 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -61.12 -61.65 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -39.09 -55.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.6 mt-10 -44.36 -48.88 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -71.47 -41.44 69.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -58.93 -54.1 50.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.677 ' HB3' HD13 ' A' ' 48' ' ' LEU . 18.6 mt -57.11 -43.4 82.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.92 -49.33 70.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.07 -36.66 5.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -62.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 100.8 -29.56 12.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 63.3 mt-10 -38.42 114.22 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 136.19 20.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.673 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 22.9 m95 74.1 52.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.7 m -122.0 120.58 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.836 ' CG ' HD23 ' A' ' 107' ' ' LEU . 4.4 p90 -107.75 166.55 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.1 pp -166.74 140.99 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.598 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 15.8 t -96.38 132.66 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -146.09 135.02 22.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 137.24 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 114.47 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.36 -44.25 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -33.04 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.77 96.2 48.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.12 -34.37 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -94.83 -176.95 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -142.72 153.12 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.445 HG21 ' NH2' ' A' ' 34' ' ' ARG . 47.2 t -114.14 145.04 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.4 tp -121.06 95.8 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -89.14 115.0 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.812 HG22 ' CB ' ' A' ' 31' ' ' PHE . 38.1 t -115.76 137.6 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.8 tp -86.11 135.4 33.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 p -100.92 161.45 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -91.12 18.07 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -108.93 106.28 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.636 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 168.12 25.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -85.65 -45.93 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.74 -27.27 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.14 -73.22 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.24 12.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.28 38.88 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 52' ' ' PRO . 48.9 p -108.74 148.46 37.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.9 17.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.572 1.827 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CA ' ' A' ' 52' ' ' PRO . 76.2 mt -77.35 125.39 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -46.8 148.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 19' ' ' GLU . 99.7 t -111.61 149.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -124.28 111.68 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 72.6 m-70 -91.73 104.02 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.74 93.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -58.03 145.88 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.59 103.61 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.9 122.85 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 t -109.29 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -128.69 143.05 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.24 36.74 53.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.19 24.83 67.62 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -125.47 142.86 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -108.82 139.82 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 t -156.23 151.48 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.86 6.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.45 2.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.42 177.06 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.7 -47.63 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.02 147.61 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.44 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 6.8 p -139.95 -179.12 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.0 m-85 -155.57 170.74 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -108.09 -38.51 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 m -118.34 143.85 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -40.95 73.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 m -56.43 -44.95 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.25 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.5 tt -86.38 -46.65 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -68.22 -42.98 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.37 -6.21 41.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -92.16 -48.13 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 43.7 m-85 -84.31 -7.19 59.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -67.26 -11.4 57.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -62.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 95' ' ' THR . 50.9 p -52.14 -46.47 65.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.07 174.7 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 65' ' ' ILE . 8.4 mt -114.06 143.78 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 21.2 tt0 -106.11 117.96 35.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -174.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -102.73 5.35 38.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -102.38 -4.31 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.33 -20.83 43.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.75 155.07 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.2 m-85 -112.13 149.03 32.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.673 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 37.3 t -118.62 147.56 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -131.43 145.78 51.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.5 mp -94.94 64.79 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -47.17 -34.14 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -169.42 160.13 7.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.94 178.34 7.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 6.6 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.495 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -54.93 103.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.78 ' CD2' HD13 ' A' ' 32' ' ' LEU . 92.4 m-70 -83.96 -33.97 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.44 -141.1 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.28 91.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.3 tpp -111.36 154.57 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLN . 3.3 m -99.12 124.57 44.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.07 -64.4 0.8 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.71 -34.53 7.02 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.74 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.8 -65.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.92 -56.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.0 mt-10 -44.72 -48.07 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -72.38 -42.35 65.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.74 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.44 -55.95 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 48' ' ' LEU . 27.0 mt -54.84 -38.63 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -69.55 -37.41 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.79 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -56.07 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -11.24 72.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.8 mp0 -56.4 119.54 29.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.05 134.31 17.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.9 m95 74.04 42.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 24.8 m -106.34 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.822 ' CE2' HG11 ' A' ' 89' ' ' VAL . 8.3 p90 -107.04 167.34 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.5 pp -166.54 136.03 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.2 t -97.1 134.13 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -146.05 160.27 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -80.56 130.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.18 138.88 47.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD21 ' ND1' ' A' ' 12' ' ' HIS . 85.3 mt -95.73 -43.93 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -5.65 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -144.14 107.0 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 118.63 -40.9 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.85 177.65 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 81.7 m-85 -143.57 162.05 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.52 143.41 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 HD21 ' A' ' 107' ' ' LEU . 46.2 tp -121.6 92.32 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -82.82 117.6 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 31' ' ' PHE . 54.1 t -118.52 132.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.87 131.65 35.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 p -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.81 16.69 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -108.56 107.64 60.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.632 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.94 173.46 14.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 61' ' ' ARG . 15.6 mtpt -89.93 -45.64 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -117.07 -27.16 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.79 -122.89 4.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.48 6.44 41.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 95.9 p -114.39 153.67 46.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 ' CA ' ' A' ' 52' ' ' PRO . 46.5 mt -79.38 122.79 26.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -40.87 150.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 19' ' ' GLU . 93.7 t -114.3 145.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -125.95 119.26 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 45.0 m-70 -100.58 110.93 23.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 92.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.3 150.26 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.1 t -121.32 133.74 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.461 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 16.3 mtm -102.56 111.67 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.6 p -95.84 93.3 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.31 129.17 51.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.4 38.03 56.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.5 21.17 70.45 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 130.71 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' A' ' 85' ' ' LEU . 22.9 m-85 -96.9 137.16 36.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.431 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.5 151.06 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.6 m -94.43 7.23 6.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.403 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.21 12.4 9.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.88 177.08 19.11 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -66.04 -53.18 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.56 143.6 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 2.6 p -132.84 -174.46 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.917 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.6 m-85 -157.79 144.12 17.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.88 -31.61 35.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -133.59 159.93 38.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.6 mm? -64.16 -25.95 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.7 m -65.3 -51.21 62.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -12.5 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.917 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.5 tt -91.77 -51.02 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.2 t -65.01 -52.36 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.36 -13.01 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -86.1 -50.99 6.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -83.8 -6.49 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.485 ' CD ' HG12 ' A' ' 89' ' ' VAL . 1.2 mtpp -67.68 -8.74 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -62.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 44.3 p -50.98 -51.98 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 175.56 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -119.49 154.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.766 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -117.5 120.84 39.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.77 -174.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.13 -18.02 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -77.61 -1.59 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.09 14.96 58.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.49 154.68 21.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.71 147.57 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.5 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t -122.61 159.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -142.77 150.44 40.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.699 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -99.92 94.62 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 40.0 mtp180 -76.37 -57.59 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -140.71 143.49 32.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.01 168.43 24.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 31.8 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -51.24 101.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.3 m-70 -81.12 -23.93 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.76 -113.98 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.32 92.28 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.736 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 45.7 ttm -115.44 141.39 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 128.24 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.02 -64.15 2.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.45 -36.02 22.78 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.764 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.01 -59.62 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.63 -48.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -49.99 -52.12 36.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 m -67.97 -41.27 82.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -59.29 -56.68 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.7 mt -56.05 -42.71 77.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.7 mt-30 -65.6 -41.21 93.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.12 -36.06 60.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -53.67 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.73 -32.93 5.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 48' ' ' LEU . 73.7 mt-10 -38.49 114.94 0.84 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 139.95 24.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m95 73.7 46.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 27.9 m -114.1 116.98 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.855 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.7 p90 -107.31 165.79 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.62 138.69 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 7.8 t -96.88 134.73 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -146.22 145.45 30.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.91 125.53 29.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 135.75 57.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.76 -41.32 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -74.38 -23.23 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -125.81 101.95 29.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.53 -32.14 3.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -87.8 175.06 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 13.1 m-85 -139.28 158.81 43.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.4 t -122.95 142.56 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.9 tp -119.43 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -90.14 113.6 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.75 HG22 ' CB ' ' A' ' 31' ' ' PHE . 62.9 t -114.03 125.99 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.6 tp -76.42 122.94 25.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.95 165.53 13.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -96.33 24.72 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.67 109.64 55.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.598 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.06 169.49 22.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -89.39 -44.75 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.02 -27.06 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.93 -125.39 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.82 5.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.34 4.14 55.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 66.4 p -113.47 153.1 45.77 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -75.03 139.88 24.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.5 mt -77.88 125.89 30.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -45.2 160.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.9 t -121.15 147.14 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -120.41 111.3 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -92.87 105.9 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.6 mp -96.99 98.7 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -62.19 140.14 58.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.1 t -112.55 105.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.454 ' HB2' HG23 ' A' ' 75' ' ' THR . 19.6 mtm -74.52 122.95 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 t -109.22 93.53 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.05 143.86 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.91 32.34 26.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.16 24.53 74.7 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -125.13 142.35 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -103.85 138.35 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.3 t -156.04 147.22 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.66 6.62 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.01 23.66 4.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.72 176.83 16.44 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 150.44 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.3 p -141.13 -179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CG ' ' C ' ' A' ' 81' ' ' THR . 30.8 m-85 -154.71 164.89 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -41.15 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 m -124.11 144.66 49.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.22 -29.1 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -62.08 -52.84 62.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -16.33 61.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.8 tt -88.03 -49.8 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 31' ' ' PHE . 42.0 t -67.36 -38.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.29 -6.35 42.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -91.97 -54.48 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.569 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 81.3 m-85 -79.2 -7.0 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.45 ' CD ' HG12 ' A' ' 89' ' ' VAL . 12.9 mtpt -64.52 -12.07 40.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -62.75 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.1 p -52.75 -28.47 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.79 -174.43 54.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.504 HD13 HD13 ' A' ' 65' ' ' ILE . 11.1 mt -126.39 147.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.85 132.42 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.11 174.33 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.3 -11.74 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.9 p -92.54 28.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.37 17.17 24.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.59 154.4 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.39 149.39 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 94.5 t -126.91 151.24 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -136.75 149.86 48.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.855 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -98.14 92.8 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.87 141.82 31.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.467 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 29.2 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 73.2 t80 -57.14 99.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CD2' HD13 ' A' ' 32' ' ' LEU . 85.4 m-70 -72.39 -19.87 61.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 106.62 -125.3 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' A' ' 35' ' ' GLU . 1.8 m80 -98.42 87.13 3.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.7 tpp -105.29 151.37 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -87.71 139.14 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' NH1' ' A' ' 34' ' ' ARG . . . -49.96 -64.23 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.54 -30.46 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -72.23 -64.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.07 -44.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -56.43 -50.98 70.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -67.42 -40.54 85.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -59.33 -57.59 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 46' ' ' SER . 27.3 mt -53.52 -42.73 67.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.0 mt-30 -68.55 -34.87 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -60.2 -30.76 69.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -54.01 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.67 -24.43 26.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.753 ' O ' HD23 ' A' ' 48' ' ' LEU . 29.2 mt-10 -44.96 114.7 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.97 133.05 16.16 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.8 m95 76.3 45.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 91.8 m -112.62 119.04 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 89' ' ' VAL . 9.2 p90 -107.29 167.24 10.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -164.32 139.84 5.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.5 t -96.66 128.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.875 HH21 HG11 ' A' ' 44' ' ' VAL . 3.6 ptt180 -146.53 142.4 27.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 1.2 tt0 -72.64 149.17 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 123.51 30.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.31 -30.58 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.43 -34.69 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -116.73 100.27 53.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.5 -34.99 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.84 -176.32 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -148.63 154.09 39.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.875 HG11 HH21 ' A' ' 34' ' ' ARG . 45.8 t -118.52 147.73 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 56.7 tp -124.33 95.71 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.1 t -88.61 117.97 27.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.661 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.2 t -116.37 134.21 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.8 tp -85.28 124.82 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.14 160.54 15.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -91.98 23.82 3.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.32 110.76 50.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.563 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 171.37 18.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -92.03 -44.32 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.08 -27.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.94 -131.2 6.53 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 111.66 3.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.29 -19.05 10.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 77.2 p -99.65 153.79 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 144.39 30.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.563 HD23 ' CA ' ' A' ' 52' ' ' PRO . 38.4 mt -76.68 130.67 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -46.61 168.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 19' ' ' GLU . 90.6 t -127.97 151.86 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -129.02 112.33 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -90.55 104.98 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.825 HG12 HG21 ' A' ' 97' ' ' ILE . 2.2 mp -90.62 92.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.73 147.24 23.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.06 116.28 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.494 ' HB2' HG23 ' A' ' 75' ' ' THR . 11.3 mtm -85.61 104.11 15.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.16 95.16 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.04 135.62 50.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.67 41.22 89.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.55 14.21 48.65 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -117.03 149.86 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.8 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -113.14 140.8 47.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.518 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.72 150.45 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' C ' ' HE3' ' A' ' 68' ' ' MET . 3.0 m -92.28 4.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.52 29.59 2.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.21 172.88 19.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -37.68 88.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.39 141.95 58.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.518 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -136.8 -178.41 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CD2' HD12 ' A' ' 88' ' ' LEU . 29.2 m-85 -154.86 159.74 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -88.21 -43.05 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -123.69 161.2 25.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 m -66.88 -46.07 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -11.21 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.2 tt -94.61 -51.51 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.7 t -63.47 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.64 -12.87 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -86.32 -51.7 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.21 -6.44 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' CD ' HG12 ' A' ' 89' ' ' VAL . 23.2 mtpt -67.25 -9.39 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 95' ' ' THR . 44.7 p -50.97 -56.23 13.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.11 178.33 24.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.825 HG21 HG12 ' A' ' 65' ' ' ILE . 6.6 mt -124.46 136.09 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.25 129.07 42.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -80.33 168.61 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.6 -12.42 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 p -84.44 -17.34 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.92 -19.83 24.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 150.62 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -101.81 159.5 15.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 89.6 t -136.39 149.23 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -135.26 153.3 51.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.826 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -85.63 -50.36 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -143.14 140.95 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.0 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' HD2' HD22 ' A' ' 32' ' ' LEU . 26.5 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -57.06 102.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' HD2' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -79.49 -23.93 42.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.05 -113.2 4.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -102.77 80.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' HB3' ' A' ' 10' ' ' HIS . 20.4 tpp -106.38 145.11 32.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -83.66 132.16 34.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 34' ' ' ARG . . . -43.56 -61.24 2.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.38 -37.35 11.98 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.757 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.86 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.57 -49.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -49.93 -53.02 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -67.05 -38.76 86.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.6 mp -61.85 -58.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 46' ' ' SER . 14.3 mt -54.11 -46.68 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 78.8 mt-30 -62.73 -50.04 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.24 -37.13 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 99.11 -31.14 8.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 48' ' ' LEU . 46.3 mt-10 -38.35 113.8 0.75 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.3 m95 74.16 51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 111' ' ' TYR . 8.1 m -120.44 118.18 29.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.9 p90 -107.89 168.92 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.4 pp -167.21 140.19 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.1 t -100.51 128.63 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NH2' ' N ' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.13 143.27 29.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.95 138.97 58.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -80.6 117.38 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 14' ' ' SER . 66.2 mt -70.84 -50.31 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -63.83 -30.14 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -121.08 89.26 46.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 111.2 3.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.34 -12.74 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.12 -178.76 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -137.21 156.79 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' OG ' ' A' ' 36' ' ' SER . 58.6 t -117.91 145.31 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.3 tp -120.08 96.95 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.7 m -91.86 111.3 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.674 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -112.99 131.07 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.9 tp -82.63 125.37 31.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 161.95 14.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.91 22.5 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -111.43 111.05 55.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.564 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.93 174.23 13.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -94.89 -44.06 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.51 -26.96 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 130.54 -130.71 6.25 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.22 5.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.82 -3.57 36.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.583 1.177 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -110.31 153.82 43.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.934 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.424 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.99 141.57 26.82 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' PRO . 62.3 mt -76.32 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 157.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.508 HG11 ' HG2' ' A' ' 19' ' ' GLU . 99.0 t -117.91 144.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -122.99 117.11 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 31.4 m-70 -98.06 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -96.0 94.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -57.1 139.0 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.7 113.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.8 mtm -80.75 116.63 20.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 49.6 t -107.49 93.96 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.51 124.76 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.79 36.09 91.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.94 68.9 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 132.35 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 21.9 m-85 -98.27 137.57 36.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.413 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -155.63 145.86 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.47 7.19 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.12 16.67 6.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.54 176.93 17.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -47.78 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.08 145.08 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 4.5 p -131.32 -172.68 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 11.4 m-85 -159.01 154.54 25.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.51 -33.17 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -126.06 147.16 49.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -56.1 -32.12 63.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.426 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 21.1 m -62.41 -53.78 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -22.09 61.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.9 tt -81.24 -50.09 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.603 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.4 t -67.72 -45.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.62 -15.2 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -84.19 -55.24 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -79.37 -6.77 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -13.6 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.37 -63.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.6 p -52.75 -23.23 6.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.82 177.81 20.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.427 1.08 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 65' ' ' ILE . 8.3 mt -113.57 152.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 24.2 tt0 -111.68 130.76 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -87.39 175.24 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.84 -23.23 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -14.93 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.74 26.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.36 153.99 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.6 m-85 -111.5 151.36 28.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.505 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 91.1 t -120.67 151.05 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.32 141.57 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -91.4 81.3 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -63.06 -52.7 61.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.45 146.35 20.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.01 165.29 31.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 30' ' ' THR . 64.3 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 66.8 t80 -59.1 103.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.576 ' CD2' HD13 ' A' ' 32' ' ' LEU . 86.9 m-70 -73.28 -32.69 64.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.44 -126.4 8.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.32 81.01 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -110.47 139.98 45.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.4 t -84.11 125.24 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -40.0 -64.47 1.09 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.85 -32.5 2.25 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.753 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.19 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.303 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -48.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.2 mt-10 -49.72 -52.43 31.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -68.67 -39.8 80.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.8 mp -60.43 -57.4 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.605 ' O ' HD22 ' A' ' 48' ' ' LEU . 24.8 mt -53.07 -37.99 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -71.19 -43.03 68.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.72 -40.02 26.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -54.9 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.14 -28.79 10.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.708 ' O ' HD23 ' A' ' 48' ' ' LEU . 67.7 mt-10 -40.64 115.44 1.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 138.8 23.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.6 m95 74.69 47.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.026 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.1 m -115.06 116.6 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -106.88 167.19 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.3 pp -166.72 138.93 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.73 134.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.43 166.15 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -92.11 136.45 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.68 123.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.96 -44.79 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -30.99 71.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.175 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.02 96.1 42.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.77 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.11 -18.94 7.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -100.34 -175.76 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.0 154.01 40.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' HB ' ' NH1' ' A' ' 34' ' ' ARG . 45.2 t -121.26 147.15 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 31' ' ' PHE . 51.1 tp -122.39 99.58 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -91.69 117.18 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 ' CB ' ' A' ' 31' ' ' PHE . 69.2 t -116.11 128.52 73.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.1 tp -79.39 119.88 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.13 161.66 17.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.74 19.79 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -108.77 110.56 61.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.61 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 175.96 10.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -43.97 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.34 -26.78 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 124.22 -122.25 4.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.57 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.81 6.01 58.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.729 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 91.6 p -111.63 153.18 44.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.87 27.35 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.6 mt -79.85 125.51 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -44.9 165.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' HG2' ' A' ' 19' ' ' GLU . 90.8 t -126.8 144.11 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.2 m -120.18 116.73 26.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -96.45 112.03 23.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 97' ' ' ILE . 3.0 mp -100.92 92.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -54.22 150.09 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.17 106.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 2.6 mtm -83.34 123.74 29.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.6 93.43 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.49 134.76 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.4 38.46 90.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.06 34.83 85.39 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -137.02 139.3 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE2' HD23 ' A' ' 85' ' ' LEU . 39.6 m-85 -102.21 139.91 37.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.438 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.8 t -155.95 149.89 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.409 ' C ' ' HE3' ' A' ' 68' ' ' MET . 17.5 m -95.1 6.6 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.91 27.76 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.27 171.44 18.03 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.78 -43.42 98.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.47 152.87 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.9 p -145.91 -178.28 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.684 ' CD2' HD12 ' A' ' 88' ' ' LEU . 27.6 m-85 -157.22 159.8 38.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -38.07 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 m -125.29 151.91 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.032 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' A' ' 74' ' ' TYR . 1.4 mm? -59.49 -30.5 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 m -61.5 -49.72 75.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.86 -13.87 48.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.684 HD12 ' CD2' ' A' ' 82' ' ' PHE . 7.7 tt -91.25 -58.79 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 31' ' ' PHE . 10.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.11 -17.31 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -84.5 -47.27 10.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -84.39 -8.55 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -65.04 -11.74 42.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -118.99 -63.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 95' ' ' THR . 49.8 p -53.36 -35.67 60.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.63 -173.87 54.0 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -125.82 145.34 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -102.74 121.82 43.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 105' ' ' VAL . 14.7 mt-10 -75.67 -177.77 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 -20.08 22.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.83 -4.95 46.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.27 -4.9 67.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.37 152.28 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.02 155.69 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.52 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 85.9 t -131.71 149.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -134.37 149.47 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.701 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -97.96 93.55 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -75.5 -50.42 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.17 146.52 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 174.17 13.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 47.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.17 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 78.5 m80 -77.83 -26.98 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 -115.45 4.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -94.9 82.12 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 22.8 tpp -111.73 144.71 40.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 129.76 35.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.6 -64.04 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.03 -38.48 4.72 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.89 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.82 -55.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -44.26 -49.13 9.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -70.92 -44.28 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -56.56 -52.62 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 48' ' ' LEU . 12.5 mt -59.06 -45.01 91.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.4 mt-30 -62.34 -46.47 88.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.226 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.14 -39.05 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -53.35 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.62 23.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.735 ' O ' HD23 ' A' ' 48' ' ' LEU . 94.9 mt-10 -41.46 115.62 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.0 130.89 13.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.488 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.7 m95 79.16 54.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 4.2 m -122.13 116.92 25.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -107.58 168.41 9.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.6 pp -166.57 136.25 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.1 t -96.64 132.52 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.06 143.67 29.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 2.0 tt0 -70.46 138.74 51.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.1 111.65 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.15 -51.2 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -29.93 71.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -121.83 93.01 48.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.67 -11.97 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -114.64 -178.04 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 35' ' ' GLU . 97.2 m-85 -144.14 155.63 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.1 144.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 31' ' ' PHE . 13.7 tp -120.28 106.6 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -101.07 109.68 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 31' ' ' PHE . 90.1 t -108.86 134.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.0 tp -84.36 125.9 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -94.14 158.52 15.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.53 16.73 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -106.57 108.98 62.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.65 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 174.73 12.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -93.83 -44.31 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.46 -26.87 7.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.63 -127.6 5.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.15 3.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 1.01 30.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.552 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 82.0 p -113.11 154.0 45.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 140.44 25.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.1 mt -76.79 126.25 30.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 160.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 19' ' ' GLU . 88.2 t -124.95 148.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -124.63 118.97 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 40.6 m-70 -99.8 113.31 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.634 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 97' ' ' ILE . 3.1 mp -99.86 92.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.84 120.49 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -88.26 125.51 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.5 mtm -93.47 113.15 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -102.5 93.69 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.45 130.35 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.54 84.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.69 24.32 74.05 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -125.83 138.21 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.25 136.75 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.572 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.2 t -155.49 147.34 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 65' ' ' ILE . 3.0 m -92.8 7.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.86 14.55 7.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.64 176.32 19.34 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.79 -37.93 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.06 144.09 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -136.2 -177.16 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 81' ' ' THR . 20.9 m-85 -156.07 164.15 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.89 -37.94 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 p -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.59 -27.18 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -64.25 -49.03 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -16.21 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.7 tt -85.09 -52.35 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 31' ' ' PHE . 14.5 t -67.03 -38.9 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.85 -10.36 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -89.29 -57.31 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 88.8 m-85 -75.26 -7.17 53.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -14.64 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -63.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 95' ' ' THR . 46.7 p -52.18 -42.24 63.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.02 -176.29 48.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 65' ' ' ILE . 5.6 mt -121.64 155.15 25.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.4 tt0 -113.2 132.34 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -82.07 178.28 8.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.93 -15.39 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.5 p -81.44 -13.39 58.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.06 -20.48 26.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 153.15 36.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.9 m-85 -110.8 154.61 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.488 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 82.6 t -126.16 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.763 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -99.98 86.12 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 18.0 mtp-105 -69.98 -44.69 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -150.72 146.74 19.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.05 -175.58 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 68.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -66.19 100.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -73.19 -28.45 62.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.07 -134.13 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.1 84.48 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.441 ' HE2' HD22 ' A' ' 21' ' ' LEU . 34.4 ttm -108.66 139.34 43.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -82.48 129.42 34.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -39.18 -63.99 1.02 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.16 4.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.767 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.57 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -49.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -50.47 -53.19 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -39.92 88.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -60.74 -63.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 46' ' ' SER . 15.7 mt -49.02 -39.54 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 81.2 mt-30 -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.13 -38.53 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -77.39 -56.31 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.82 -18.6 56.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -47.97 116.65 4.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.32 20.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 72.43 44.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 55.5 m -109.99 117.38 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.2 p90 -107.25 168.18 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.73 147.8 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.6 t -104.16 135.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' NH2' HG11 ' A' ' 44' ' ' VAL . 13.7 ptt85 -146.32 165.8 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.6 146.03 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 127.28 34.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.15 -47.4 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -16.95 64.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -138.25 106.36 7.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.84 -37.3 2.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.31 169.24 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.99 156.88 48.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' NH2' ' A' ' 34' ' ' ARG . 63.0 t -118.07 144.81 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.3 tp -123.13 91.3 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.62 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.8 t -85.68 120.06 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -118.98 128.85 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -80.72 125.13 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.49 160.71 15.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.99 19.61 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.3 112.46 57.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.596 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 175.86 10.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -44.38 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.61 -26.57 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 -129.72 6.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.56 -4.11 19.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 52.7 p -110.92 153.89 43.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 140.7 25.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 52' ' ' PRO . 94.8 mt -73.12 124.24 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 160.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.7 t -122.01 154.82 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -132.77 110.73 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 91.2 m-70 -89.21 110.07 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -100.05 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -63.24 157.07 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.1 t -130.48 115.56 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.56 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 7.2 mtm -85.98 117.42 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.469 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 17.9 t -104.32 94.11 5.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.51 124.59 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.34 95.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 20.85 50.02 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.53 136.7 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.801 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -109.86 138.05 46.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.452 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.83 153.83 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' MET . 18.0 m -96.03 6.78 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.56 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.9 32.27 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.81 177.08 18.9 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -46.24 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.22 139.46 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.492 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 15.4 p -133.68 -175.22 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.687 ' HD2' HD12 ' A' ' 88' ' ' LEU . 16.7 m-85 -158.62 157.98 32.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -95.71 -34.15 12.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -121.74 137.38 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.67 -28.97 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 -55.1 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -17.11 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' A' ' 82' ' ' PHE . 9.0 tt -87.4 -52.11 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.3 t -66.93 -39.03 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.99 -14.05 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 7.8 t-80 -85.45 -52.71 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.403 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 75.2 m-85 -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.63 -16.26 64.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -112.54 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 52.9 p -52.91 -53.44 49.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.82 -175.83 24.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 65' ' ' ILE . 8.1 mt -123.13 149.96 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.757 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -108.19 125.42 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.52 -176.81 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.74 -11.51 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.83 -5.46 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.17 -2.92 58.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.73 153.24 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -106.44 160.79 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.528 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 41.4 t -138.21 156.86 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -142.05 148.71 38.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.728 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -96.43 99.14 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 12.5 mtt-85 -82.4 -61.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -136.49 141.26 34.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.98 156.35 43.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.631 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 71.4 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.644 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 100.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.839 ' CD2' HD13 ' A' ' 32' ' ' LEU . 88.5 m-70 -73.58 -32.05 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.34 -140.06 15.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 87.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 ttm -112.23 127.88 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 37' ' ' LEU . 5.0 t -69.12 141.2 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.44 -64.23 4.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.85 -26.73 2.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -74.83 -63.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.49 -51.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -48.87 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.03 -40.9 74.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG2' ' A' ' 17' ' ' GLN . 1.9 mp -59.22 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 46' ' ' SER . 21.7 mt -52.39 -41.0 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.56 -40.05 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -52.62 -35.93 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CG ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -78.95 -56.65 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.12 -22.47 38.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.566 ' O ' HD23 ' A' ' 48' ' ' LEU . 12.2 mp0 -47.12 115.93 3.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.04 137.6 21.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 73.4 40.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.3 m -107.31 116.68 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.844 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.5 p90 -107.12 166.72 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.25 143.34 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.644 HG21 ' CE3' ' A' ' 8' ' ' TRP . 11.3 t -96.61 133.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.48 165.98 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.51 139.65 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.67 110.09 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 14' ' ' SER . 14.6 mt -64.1 -43.43 95.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -32.23 72.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.28 95.83 48.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 108.66 2.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -19.99 4.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -171.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -147.06 154.5 41.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.97 146.19 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -123.1 92.63 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.9 m -85.63 119.7 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.797 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.5 t -120.28 127.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.7 tp -80.01 121.21 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.94 160.66 17.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.35 26.52 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -116.27 111.94 42.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.542 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.0 170.64 19.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -90.2 -44.38 9.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.59 -27.31 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.72 -127.36 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.11 2.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.61 -3.45 17.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 43.7 p -112.9 153.56 45.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.6 mt -75.09 123.23 24.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -41.52 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.52 145.51 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.6 m -123.39 118.09 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -99.45 109.26 21.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' A' ' 97' ' ' ILE . 2.9 mp -96.7 92.55 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 142.83 41.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.38 127.31 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 6.8 mtm -100.85 110.73 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 42.9 t -96.38 94.36 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.91 139.73 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 33.5 39.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.74 69.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -118.62 133.41 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 85' ' ' LEU . 85.8 m-85 -102.51 140.12 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.4 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.3 t -155.45 149.29 25.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.85 7.41 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.19 14.72 7.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.087 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.72 176.84 19.05 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -44.48 72.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 91' ' ' HIS . 5.9 mt-10 -59.09 146.4 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.453 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.7 p -134.48 -177.02 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 21.3 m-85 -156.49 155.57 32.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.81 -31.03 14.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 m -128.73 145.94 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.5 mm? -55.59 -28.42 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -66.03 -50.55 63.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -15.03 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 88' ' ' LEU . 2.1 tt -87.93 -46.69 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -71.02 -40.35 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.66 -12.11 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' ' OE1' ' A' ' 80' ' ' GLU . 79.3 t60 -83.79 -59.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.72 -6.99 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.3 -17.06 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 -63.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.2 p -53.5 -56.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.65 -178.63 25.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.9 mt -119.66 143.48 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -96.78 129.56 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -85.26 164.31 18.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.31 -14.91 62.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.4 -19.64 35.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.68 -22.66 16.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.9 45.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.86 158.92 15.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.555 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.7 t -132.68 148.73 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -135.32 151.8 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.844 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -100.15 101.06 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -84.54 -59.58 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.18 138.35 28.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.0 156.79 43.02 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 32' ' ' LEU . 20.9 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.614 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -51.8 102.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 74.7 m80 -78.98 -26.19 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.9 4.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -97.13 81.3 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.453 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 27.3 tpp -109.88 141.09 43.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 m -80.36 128.15 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.96 -61.44 2.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.49 -34.83 6.83 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.758 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.85 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.94 -53.45 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -45.58 -50.32 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.02 -43.34 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -57.21 -56.0 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.9 mt -53.74 -46.09 70.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.83 -43.93 94.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.3 17.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -53.53 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.43 -23.67 26.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 87.5 mt-10 -41.15 115.6 1.33 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.3 m95 83.82 54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.1 m -123.14 117.41 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -107.29 168.39 9.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 2.4 pp -165.58 137.0 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.9 t -96.65 130.69 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.33 138.04 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.75 136.25 55.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -73.34 103.6 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.64 -50.16 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -29.48 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -121.51 93.56 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.73 3.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.34 -21.37 5.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.54 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.28 157.84 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG23 ' OG ' ' A' ' 36' ' ' SER . 51.3 t -119.75 145.96 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 31' ' ' PHE . 62.7 tp -125.85 99.45 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.5 m -92.83 116.58 29.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 31' ' ' PHE . 76.7 t -114.75 135.96 52.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 11.9 tp -86.75 128.17 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 162.19 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.33 24.83 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -112.67 107.02 55.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.643 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -93.73 -44.16 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.46 -26.92 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.99 -127.21 5.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.69 3.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.3 29.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 80.6 p -110.19 153.75 43.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.03 26.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.6 mt -77.71 126.45 30.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -46.01 157.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.0 t -120.81 146.4 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -123.79 117.96 26.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 42.5 m-70 -96.55 110.68 23.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.56 93.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -56.53 143.03 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.64 109.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 75' ' ' THR . 20.5 mtm -80.89 114.62 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.3 t -102.09 93.52 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 108.276 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.36 134.62 51.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.63 33.92 59.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.52 19.38 72.74 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 134.32 55.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' THR . 29.9 m-85 -100.74 136.04 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.6 OUTLIER -155.24 145.94 22.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.55 7.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.449 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.99 15.55 7.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.23 176.83 17.72 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.79 -47.0 70.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.97 143.86 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.49 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 11.9 p -133.03 -175.52 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CD2' HD12 ' A' ' 88' ' ' LEU . 19.5 m-85 -158.88 153.09 23.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.42 -36.45 13.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -121.62 145.93 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 m -64.19 -45.9 86.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -13.11 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.786 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -92.8 -50.17 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -67.01 -37.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.8 -7.28 49.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -90.25 -52.13 5.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 83.8 m-85 -81.1 -7.45 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.82 -17.44 64.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.78 -62.35 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 77.3 p -54.97 -58.7 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.79 -179.29 21.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 107' ' ' LEU . 7.5 mt -124.17 153.35 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -108.13 134.42 51.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -90.5 177.15 6.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.29 -12.28 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -89.31 16.57 7.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.24 17.12 71.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.93 154.16 22.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.5 153.9 22.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.526 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 93.0 t -129.97 149.74 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.76 148.6 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -99.82 83.27 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -67.11 -41.83 85.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -155.7 150.9 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 -170.45 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 55.3 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.1 t80 -60.49 103.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 75.5 m-70 -77.65 -2.64 36.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 92.9 -116.97 5.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -110.98 89.27 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.598 ' HE3' HD22 ' A' ' 21' ' ' LEU . 1.8 tpp -103.17 159.27 15.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.9 t -99.63 129.1 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -37.63 -63.91 0.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.33 -41.03 6.35 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -63.25 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -53.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.1 mt-10 -45.0 -49.88 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -71.24 -42.67 68.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.745 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -56.97 -50.7 71.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.67 ' HB3' HD13 ' A' ' 48' ' ' LEU . 23.3 mt -61.05 -41.72 97.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 85.0 mt-30 -65.54 -43.16 90.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.51 60.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -55.98 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.79 -9.01 78.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.723 ' O ' HD23 ' A' ' 48' ' ' LEU . 45.0 mt-10 -56.48 116.91 14.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.99 132.01 14.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.4 m95 74.01 42.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 11.7 m -107.54 118.95 38.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.82 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.9 p90 -107.44 165.66 11.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.4 pp -164.07 141.55 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.5 t -96.66 131.01 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.795 ' NH2' HG11 ' A' ' 44' ' ' VAL . 31.0 ptt85 -145.44 141.11 28.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 3.6 mt-10 -75.16 147.55 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.02 136.75 35.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 12' ' ' HIS . 86.9 mt -84.68 -51.85 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 p -64.12 -22.5 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.19 98.57 32.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 105.91 2.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.51 -28.52 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.74 171.92 10.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -138.5 156.7 47.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.795 HG11 ' NH2' ' A' ' 34' ' ' ARG . 60.8 t -120.62 144.75 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 31' ' ' PHE . 5.6 tp -120.07 100.11 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.534 ' HG ' ' HD1' ' A' ' 64' ' ' HIS . 2.0 m -94.15 116.98 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.731 HG22 ' CB ' ' A' ' 31' ' ' PHE . 53.7 t -117.44 130.53 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.05 129.48 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 158.42 15.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.83 21.13 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -113.24 109.78 51.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.642 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.03 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -91.03 -44.75 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.35 -27.01 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.19 -125.86 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.85 -1.14 28.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.643 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.4 p -111.75 153.84 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 146.04 32.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.9 mt -82.0 126.3 31.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -44.63 150.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HG2' ' A' ' 19' ' ' GLU . 64.1 t -113.39 150.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 HD11 ' A' ' 65' ' ' ILE . 1.8 m -129.38 112.21 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.534 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 55.5 m-70 -98.29 118.87 35.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -107.93 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 145.96 41.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.0 122.97 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.422 ' HB2' HG23 ' A' ' 75' ' ' THR . 12.2 mtm -93.59 120.6 34.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.3 t -105.76 93.72 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -125.55 123.65 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.83 37.56 94.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.75 28.06 72.04 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -127.82 136.14 51.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 30.0 m-85 -102.73 138.67 39.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.5 t -155.64 149.03 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.9 m -94.47 7.14 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 22.65 5.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.97 176.98 16.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -38.5 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.27 146.52 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 ' HB ' ' A' ' 75' ' ' THR . 3.5 p -136.47 -178.9 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 88' ' ' LEU . 30.6 m-85 -154.71 156.49 36.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.33 -36.05 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -122.12 139.5 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.6 mm? -53.36 -25.94 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.6 m -67.96 -45.47 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -12.17 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.3 tt -92.86 -53.74 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 31' ' ' PHE . 43.3 t -62.9 -37.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.22 -6.54 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.2 -50.59 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.605 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 74.5 m-85 -80.98 -7.35 59.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -63.38 -13.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 -64.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.3 p -52.04 -27.52 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 -173.9 45.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 65' ' ' ILE . 8.6 mt -127.66 149.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -108.16 124.69 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.41 175.55 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.5 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.11 -19.21 23.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.31 146.09 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.17 163.1 13.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 45.8 t -133.67 165.07 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.478 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 53.3 m-85 -151.0 148.86 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -100.63 95.81 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -82.04 -33.01 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.32 150.22 7.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -74.99 156.31 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.638 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 75.7 t80 -55.08 101.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.446 ' CE1' ' HD2' ' A' ' 111' ' ' TYR . 64.3 m80 -74.28 -24.27 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.56 -131.96 10.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -88.87 80.2 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 tpp -101.57 150.14 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -88.16 126.44 35.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.41 -64.03 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.27 -35.97 2.79 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.761 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.4 -63.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -50.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.5 mt-10 -47.54 -53.05 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -68.12 -41.46 81.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.761 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.4 mp -58.17 -56.88 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 46' ' ' SER . 24.1 mt -53.69 -44.46 69.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -63.97 -49.5 72.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -39.42 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -53.06 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -8.09 78.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.746 ' O ' HD23 ' A' ' 48' ' ' LEU . 23.7 mt-10 -56.07 115.5 9.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 17.4 m95 79.73 48.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 28.8 m -117.37 117.15 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -106.36 167.53 9.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -165.41 140.17 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.0 t -97.32 132.52 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH2' HG11 ' A' ' 44' ' ' VAL . 28.7 ptt85 -146.44 164.89 31.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -88.92 139.73 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 127.62 32.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.23 -41.84 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -26.39 63.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -126.94 95.07 37.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.55 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.74 -25.15 5.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -171.34 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -144.32 154.4 43.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' NH2' ' A' ' 34' ' ' ARG . 39.5 t -117.54 145.33 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.1 tp -122.78 98.81 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.4 m -92.38 118.12 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.729 HG22 ' CB ' ' A' ' 31' ' ' PHE . 65.9 t -117.23 133.95 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.2 tp -85.37 131.29 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.8 160.74 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.16 21.16 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -109.07 108.82 60.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.624 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.96 173.68 14.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -94.93 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.22 -26.91 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.47 -125.35 5.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.64 3.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 2.29 32.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 59.8 p -113.65 151.72 44.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 Cg_endo -75.04 142.1 27.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.624 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.6 mt -76.42 127.12 32.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 165.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.4 t -126.21 149.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.4 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.3 m -127.12 118.09 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 65.7 m-70 -98.75 114.07 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -101.72 93.14 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.28 142.27 43.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.27 107.68 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.493 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 7.5 mtm -81.19 126.07 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -110.03 93.57 4.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.68 133.38 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.12 33.18 86.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.3 24.56 70.72 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -127.85 143.04 51.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' HB3' HD12 ' A' ' 88' ' ' LEU . 44.7 m-85 -104.68 140.15 38.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.1 t -155.74 151.5 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.493 ' C ' ' HE3' ' A' ' 68' ' ' MET . 15.1 m -94.02 7.14 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.05 5.97 16.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.8 174.77 21.92 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.0 -48.31 76.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.93 139.43 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.548 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.2 p -130.55 -176.18 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 17.8 m-85 -155.97 164.17 38.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -36.24 8.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -123.12 141.01 52.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -34.1 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -59.23 -47.78 84.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -17.7 64.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tt -85.27 -47.03 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 31' ' ' PHE . 21.6 t -71.55 -43.02 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.3 -6.54 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -88.89 -56.24 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.546 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -79.6 -7.41 58.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -62.16 -14.28 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -64.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 46.2 p -52.91 -35.94 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.07 173.28 47.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -111.0 150.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -107.36 130.93 54.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.71 -178.9 6.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.81 -2.2 56.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.36 -5.34 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -18.25 51.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.71 154.03 36.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -110.82 161.06 16.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.542 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 92.2 t -134.46 147.11 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -131.41 152.47 50.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.925 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.2 mp -101.64 99.33 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.2 mtp-105 -82.35 -38.22 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -162.02 147.49 10.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.01 176.92 9.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 65.8 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.44 106.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.804 ' CD2' HD13 ' A' ' 32' ' ' LEU . 89.8 m-70 -79.8 -30.24 40.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.637 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.33 -122.77 6.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.19 90.62 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.617 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.4 tpp -113.25 140.14 48.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' GLN . 9.1 m -83.7 125.92 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.66 -64.05 0.92 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.97 -32.36 4.66 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.734 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.33 -65.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.9 -52.07 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.5 mt-10 -47.79 -49.57 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -71.26 -41.32 70.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.98 -57.58 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 48' ' ' LEU . 26.3 mt -51.71 -39.3 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.47 -47.53 60.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.23 -38.44 5.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -54.9 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 -7.66 81.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD23 ' A' ' 48' ' ' LEU . 56.2 mt-10 -57.65 116.78 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.01 132.16 15.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.94 39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 18.2 m -105.04 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.777 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.9 p90 -107.3 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.71 139.48 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.565 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 10.9 t -96.11 132.84 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.677 ' NH2' HG11 ' A' ' 44' ' ' VAL . 22.3 ptt85 -145.24 148.69 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.76 137.51 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 126.68 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.61 -37.78 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -17.95 60.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -133.89 105.93 11.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -37.96 3.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -175.93 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -146.79 161.54 40.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.677 HG11 ' NH2' ' A' ' 34' ' ' ARG . 38.8 t -119.94 146.58 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.3 tp -127.35 96.8 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -90.11 122.3 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.777 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.2 t -120.61 135.79 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -87.22 130.86 34.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.71 163.16 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.29 22.83 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.89 113.16 39.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.0 168.45 24.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.772 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -96.9 -40.52 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -123.8 34.34 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.07 -134.69 34.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.34 20.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.64 -8.36 68.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.761 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.8 p -110.69 153.57 43.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.28 39.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 52' ' ' PRO . 52.6 mt -81.84 130.78 35.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -45.93 154.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.4 t -113.94 149.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -131.24 120.2 22.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.94 118.52 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' A' ' 97' ' ' ILE . 3.2 mp -99.47 92.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 145.45 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.31 121.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.573 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.4 mtm -93.95 119.77 33.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.5 p -96.64 97.1 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.368 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.54 122.42 37.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.93 96.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.11 13.54 62.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -115.78 138.64 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.0 m-85 -99.21 142.25 30.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.573 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -155.37 144.68 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 m -88.35 6.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.82 5.41 18.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.97 176.06 27.95 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -38.77 79.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.95 150.1 43.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 1.2 p -137.23 -174.6 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.845 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.2 m-85 -158.34 154.84 27.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.81 15.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 149.89 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.3 mm? -57.04 -30.65 64.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -61.19 -48.72 80.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -13.58 62.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.845 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -89.88 -50.89 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.7 t -65.15 -38.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.48 -9.18 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -87.97 -52.72 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -81.36 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.128 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -15.77 58.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 -63.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -53.12 -36.74 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.15 -172.7 54.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 65' ' ' ILE . 7.4 mt -127.82 152.83 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -110.76 124.09 51.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -75.63 172.51 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.32 -17.99 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.95 -14.89 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.28 -9.12 45.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.97 148.3 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -98.76 162.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 72.6 t -137.93 156.98 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -141.83 148.68 39.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.767 ' N ' HD12 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -100.69 88.66 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 15.8 mtp-105 -71.68 -55.7 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -140.66 147.52 49.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 21.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.59 99.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 74.6 m-70 -69.89 -27.61 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.37 -135.81 13.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -82.86 91.74 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.3 ttm -111.82 148.21 34.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -85.66 124.77 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.15 -63.58 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.9 -38.12 10.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.71 -62.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -51.76 -47.65 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -71.2 -37.72 72.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.0 mp -63.09 -56.6 15.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.665 ' O ' HD22 ' A' ' 48' ' ' LEU . 28.3 mt -55.99 -39.25 71.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 86.3 mt-30 -69.32 -51.59 35.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.7 -34.06 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -76.73 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.46 46.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 48' ' ' LEU . 33.8 mt-10 -48.61 113.27 2.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.24 23.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.5 m95 71.63 41.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 79.8 m -110.21 116.57 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -106.71 166.64 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.768 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.95 140.62 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG21 ' CE3' ' A' ' 8' ' ' TRP . 10.8 t -96.8 132.74 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.514 HH21 HG11 ' A' ' 44' ' ' VAL . 50.1 ptt85 -145.94 146.79 31.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 140.13 45.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.24 143.08 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -94.28 -51.11 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -64.9 -25.03 67.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -120.43 103.15 44.62 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.22 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.38 -26.31 8.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.31 164.26 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -127.67 157.77 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.514 HG11 HH21 ' A' ' 34' ' ' ARG . 37.3 t -118.75 146.48 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.2 tp -124.56 101.93 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.8 m -94.37 122.07 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -122.8 132.83 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 22' ' ' LEU . 15.2 tp -86.86 116.86 25.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.72 161.21 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.54 24.87 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -114.4 111.77 46.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.565 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 174.81 12.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -95.14 -44.26 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.93 -26.88 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.41 -131.21 6.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.51 2.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.06 -4.54 11.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.493 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 87.9 p -113.14 153.61 45.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.1 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 52' ' ' PRO . 66.2 mt -75.12 128.57 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 19' ' ' GLU . 96.6 t -128.05 146.49 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -125.82 118.24 25.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -99.65 108.84 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 97' ' ' ILE . 2.7 mp -94.43 95.17 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -61.59 131.3 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.32 124.81 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.489 ' HB2' HG23 ' A' ' 75' ' ' THR . 15.2 mtm -97.95 112.56 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 52.3 t -100.06 94.19 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 108.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.3 138.14 52.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.8 35.21 66.93 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.79 28.73 73.75 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -133.52 138.6 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 85' ' ' LEU . 63.6 m-85 -102.42 140.35 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.7 OUTLIER -155.58 144.58 20.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' HB ' HG23 ' A' ' 65' ' ' ILE . 2.6 m -90.58 7.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 7.23 14.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.02 176.74 27.23 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -41.69 74.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.91 150.67 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.46 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.6 p -138.79 -177.4 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' C ' ' A' ' 81' ' ' THR . 25.3 m-85 -157.59 163.54 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -98.9 -36.09 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 p -119.74 146.81 45.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.4 mm? -57.96 -37.43 74.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.453 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 86.6 m -58.37 -45.65 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -21.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -81.74 -48.32 11.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.5 t -68.45 -42.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.29 -12.74 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -85.71 -54.34 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -79.04 -7.32 58.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -64.53 -13.3 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.3 p -51.89 -62.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 105' ' ' VAL . . . 110.75 168.69 19.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 65' ' ' ILE . 5.6 mt -109.97 136.72 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -86.1 135.5 33.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -94.65 -176.2 3.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.19 -6.14 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 14.11 29.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.68 70.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.86 148.56 32.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.32 159.54 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 95.9 t -127.19 148.33 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -123.76 143.23 50.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.8 mp -98.71 82.67 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.6 mtp-105 -61.12 -63.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -136.95 147.04 57.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.95 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.6 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.631 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -51.36 106.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 87.8 m-70 -86.1 -29.93 22.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.12 -111.48 3.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 91.33 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.9 ttm -116.28 155.67 27.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.58 127.26 49.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.4 -63.18 1.42 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.4 -40.95 6.41 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.774 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.07 -63.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.13 -51.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -49.52 -50.08 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -68.99 -38.22 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.5 mp -64.17 -61.6 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 46' ' ' SER . 40.3 mt -48.79 -42.79 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.5 mt-30 -69.08 -48.9 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.8 -34.83 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 103.65 -32.31 7.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.5 mt-10 -38.01 113.69 0.71 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.98 138.91 23.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.8 m95 74.41 47.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.3 m -115.41 115.53 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.907 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.9 p90 -107.32 166.0 10.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -164.11 136.57 4.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.631 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.3 t -96.96 139.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -145.74 159.7 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.48 135.96 34.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 80.2 p -70.85 126.42 29.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -94.25 -42.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -87.53 -25.24 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -93.39 137.36 23.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 122.82 7.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.89 59.34 1.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.535 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -138.08 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 13.5 m-85 -144.89 157.53 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.0 t -122.77 142.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.5 tp -117.05 99.36 7.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.602 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.4 t -91.41 110.49 21.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 31' ' ' PHE . 92.5 t -112.98 126.51 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.6 tp -77.89 124.47 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -88.38 165.97 14.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -97.47 14.65 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -104.96 111.81 65.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.611 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.05 171.62 17.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -91.45 -44.53 9.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.92 -26.98 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.04 -129.71 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.72 -5.45 22.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 54.1 p -110.86 153.5 43.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.9 mt -76.53 127.31 32.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -45.2 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.0 t -120.29 153.12 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -128.86 113.62 15.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -93.38 101.91 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.4 mp -91.87 96.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 133.72 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.15 126.57 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 mtm -93.37 110.95 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 19.7 t -99.7 93.27 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.56 142.82 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.61 31.44 52.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.44 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -121.57 148.88 43.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 69.9 m-85 -111.44 139.74 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.6 t -155.92 150.06 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 m -93.4 6.54 6.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 24.77 4.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.11 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.78 71.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.75 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -134.11 -174.55 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 81' ' ' THR . 16.1 m-85 -159.24 158.48 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -94.37 -36.43 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 p -125.17 146.44 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.72 -32.79 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 m -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -17.9 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.583 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.6 tt -85.48 -48.74 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -68.64 -54.65 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.14 -18.11 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 10.9 t-80 -79.3 -61.29 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.5 m-85 -72.71 -6.6 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.67 -15.46 62.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 2.0 pttt -115.0 -62.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 43.6 p -52.3 -57.24 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 172.75 26.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.526 HD13 HD13 ' A' ' 65' ' ' ILE . 7.2 mt -111.41 155.35 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.8 tt0 -115.06 130.02 56.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -83.43 173.12 11.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.0 -27.34 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t -69.32 -13.33 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.72 -21.96 29.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.98 154.64 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.3 m-85 -111.78 150.66 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.599 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 88.7 t -122.51 147.02 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -130.87 154.42 48.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.907 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -102.08 95.76 6.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 13.2 mtp180 -76.34 -50.35 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -146.77 141.23 15.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.93 160.7 40.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.6 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 78.5 t80 -67.48 100.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -74.31 -24.28 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.13 -137.24 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -81.64 102.82 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.432 ' CE ' HD22 ' A' ' 21' ' ' LEU . 39.1 ttm -121.67 143.23 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -83.48 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.24 -59.84 2.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.54 26.78 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.97 -63.43 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.7 -48.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.01 -48.85 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -69.29 -39.53 78.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -60.6 -57.34 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' A' ' 48' ' ' LEU . 41.7 mt -53.71 -39.59 65.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.8 mt-30 -69.59 -42.86 73.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.34 -35.39 38.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HE2' ' CE1' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -77.44 -62.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.98 -14.95 62.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -55.56 119.4 24.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.01 132.88 15.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.503 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.2 m95 75.09 46.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 27' ' ' GLU . 11.6 m -111.26 116.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -106.71 166.14 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.35 144.52 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' CE3' ' A' ' 8' ' ' TRP . 4.9 t -102.07 128.66 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.848 HH21 HG11 ' A' ' 44' ' ' VAL . 3.4 ptt180 -145.9 147.78 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.95 146.5 46.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.03 135.34 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.75 -45.36 11.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -29.2 70.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -128.3 106.42 19.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.54 -40.31 2.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.39 171.78 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.763 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -135.6 160.15 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.848 HG11 HH21 ' A' ' 34' ' ' ARG . 98.9 t -123.52 146.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -122.22 96.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.2 t -89.77 120.21 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' CB ' ' A' ' 31' ' ' PHE . 79.7 t -117.72 136.47 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -86.67 126.5 34.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 159.68 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.24 22.66 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -115.25 111.43 44.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.04 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -96.96 -43.16 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.68 -27.31 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.52 -123.3 5.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.38 4.57 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.5 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.749 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 78.2 p -112.0 153.14 44.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.0 144.16 29.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.2 mt -81.66 125.92 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.13 155.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.499 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.6 t -118.77 149.03 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.19 111.93 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.9 111.07 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -98.8 93.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -57.59 154.59 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 t -127.46 126.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 mtm -96.48 111.76 23.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 38.1 t -98.97 93.83 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -128.14 141.47 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.14 43.23 50.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.89 62.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -133.08 143.05 49.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -110.56 139.96 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.4 t -155.69 151.16 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.77 7.15 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 10.79 10.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.07 173.34 20.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -48.5 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.57 148.66 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.7 p -138.49 -178.87 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CG ' ' C ' ' A' ' 81' ' ' THR . 29.9 m-85 -155.46 161.61 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.53 -40.02 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -116.86 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -50.03 -35.24 24.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 m -58.63 -53.02 63.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -17.55 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 74' ' ' TYR . 8.1 tt -87.44 -54.16 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.673 HG11 ' CE2' ' A' ' 31' ' ' PHE . 5.3 t -64.35 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.35 -15.37 60.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -83.44 -57.35 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.437 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 91.3 m-85 -75.4 -6.86 52.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -68.15 -10.93 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 58.9 p -54.18 -51.7 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.7 -174.58 23.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 65' ' ' ILE . 10.7 mt -126.26 151.62 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -111.31 121.32 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.88 -173.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.03 -22.54 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 m -72.94 -21.74 60.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.52 6.73 21.35 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.161 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.02 151.91 21.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.86 159.15 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.503 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.5 t -132.4 158.86 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -142.57 151.61 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.794 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -105.29 94.4 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -44.81 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -148.58 145.88 21.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -74.98 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 30.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.401 ' CD1' ' HZ ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.86 100.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.6 m-70 -69.45 -33.91 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.24 -119.64 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -96.52 83.96 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.99 140.25 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -79.41 129.05 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.22 -62.3 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.0 6.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -66.09 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.53 -55.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.47 -48.19 26.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -70.69 -40.14 73.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.5 mp -60.33 -59.58 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 mt -51.19 -40.46 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.28 -49.73 58.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.29 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 102.31 -32.93 6.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 30' ' ' THR . 93.0 mt-10 -38.05 115.67 0.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.92 23.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 18.3 m95 72.84 50.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 6.4 m -118.3 119.35 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.787 ' CB ' HG22 ' A' ' 47' ' ' VAL . 4.8 p90 -106.76 170.48 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.7 pp -167.18 136.73 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.0 t -96.49 124.63 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.853 HH21 HG11 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.66 142.17 27.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 150.36 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.7 130.42 34.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -77.55 -35.85 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.57 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -112.27 97.43 39.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -26.5 7.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -94.84 176.78 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.93 160.56 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.853 HG11 HH21 ' A' ' 34' ' ' ARG . 52.6 t -122.97 147.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.6 tp -123.71 93.95 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.9 m -88.39 119.39 28.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.787 HG22 ' CB ' ' A' ' 31' ' ' PHE . 48.8 t -120.62 133.78 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.1 tp -84.33 126.03 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.12 159.08 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' CG ' ' CZ2' ' A' ' 29' ' ' TRP . 4.8 p-10 -91.03 25.84 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -118.08 113.16 37.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.626 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -91.64 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.44 -27.13 7.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.68 -127.36 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.01 5.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.25 -1.07 46.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.4 p -110.35 153.67 43.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 141.45 26.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.626 HD23 ' CA ' ' A' ' 52' ' ' PRO . 90.8 mt -77.72 125.8 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -44.08 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 48' ' ' LEU . 84.2 t -120.49 150.6 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -127.16 114.01 17.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 43.7 m-70 -99.38 111.28 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -99.44 93.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -53.35 147.99 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.3 t -127.57 110.93 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 mtm -88.59 123.37 33.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 24.4 t -102.36 95.94 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -122.35 133.41 54.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.83 23.86 61.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 -11.25 61.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -92.49 155.97 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 69' ' ' CYS . 74.9 m-85 -116.38 145.09 43.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.02 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.93 7.16 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 17.68 6.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.09 174.2 15.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.14 133.1 54.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 3.1 p -127.52 176.82 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -149.55 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.56 -43.9 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -125.47 153.25 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.72 -30.81 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -60.37 -44.23 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -18.05 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.6 tt -83.53 -49.16 9.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 31' ' ' PHE . 13.9 t -69.32 -37.98 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.29 -6.72 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -89.12 -52.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.648 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -81.6 -7.51 59.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -65.49 -12.65 54.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -64.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.9 p -52.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.25 174.46 18.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 65' ' ' ILE . 5.5 mt -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.04 130.56 36.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.11 161.55 21.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.38 -15.73 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -81.82 -18.94 42.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.45 29.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.45 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.27 153.63 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.514 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 98.1 t -129.34 148.63 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -132.24 151.95 51.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -101.53 84.39 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -26.53 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -178.15 160.16 1.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.5 Cg_endo -75.02 169.3 22.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.3 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.633 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 32.7 t80 -49.94 102.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.7 m-70 -83.43 -26.33 30.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.627 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.13 -113.69 4.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 92.87 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.569 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' SER . 13.1 tpp -120.75 147.94 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 13.5 t -80.72 142.12 34.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -56.27 -64.3 4.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.73 -29.91 2.11 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.766 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -70.64 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' ' NH1' ' A' ' 34' ' ' ARG . . . -38.13 -49.17 1.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -52.42 -48.92 65.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -68.93 -43.57 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.8 mp -57.21 -56.39 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 46' ' ' SER . 36.8 mt -53.1 -48.27 67.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.11 -50.44 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.66 -39.99 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -53.0 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.39 -25.18 21.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.829 ' O ' HD23 ' A' ' 48' ' ' LEU . 99.1 mt-10 -38.42 112.42 0.67 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 128.58 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.8 m95 79.37 56.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 75.9 m -125.62 118.61 26.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.824 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -107.06 165.97 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -165.06 134.65 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.633 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.7 t -96.57 129.27 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 3.5 ptt-85 -146.62 136.65 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.68 129.27 40.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 133.88 54.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -35.49 17.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 m -74.43 -32.17 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.11 100.45 33.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -24.67 8.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.99 -176.79 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -144.29 155.33 43.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.23 145.2 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -114.67 109.65 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.82 108.41 19.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 31' ' ' PHE . 99.4 t -110.56 135.11 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.1 tp -85.94 126.7 34.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 160.12 14.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.62 22.7 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -111.19 109.3 56.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.01 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -92.42 -45.13 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.18 -26.7 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.52 -126.5 4.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 124.93 8.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.44 -0.57 63.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.6 p -108.12 153.98 41.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.39 27.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 61.0 mt -80.74 126.43 31.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -45.52 164.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.2 t -129.52 147.23 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.55 130.44 53.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.29 109.17 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -97.84 93.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -54.9 134.7 48.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.93 104.61 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.544 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -72.3 118.24 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.2 t -107.06 93.84 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.58 141.23 51.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.84 37.22 51.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.63 71.41 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 34.0 m-85 -101.8 139.86 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -154.75 143.66 20.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.62 7.0 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 4.23 19.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.0 176.34 21.93 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 mm? -62.26 -56.85 14.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.98 144.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -137.65 -172.87 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.528 ' CG ' ' C ' ' A' ' 81' ' ' THR . 11.7 m-85 -160.42 170.6 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.73 -37.26 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -125.39 150.7 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.8 mm? -59.18 -32.92 70.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.2 m -60.66 -45.78 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.414 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -16.79 63.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.578 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.0 tt -89.36 -50.12 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -64.63 -42.33 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.43 -6.87 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -93.16 -49.69 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -83.28 -6.91 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.94 -8.34 36.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -62.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 95' ' ' THR . 49.3 p -51.7 -45.8 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.24 -176.29 32.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 65' ' ' ILE . 12.2 mt -128.15 150.25 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 22.7 tt0 -112.83 132.3 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.17 169.2 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 -17.39 50.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -18.44 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.97 -23.09 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.77 152.5 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.5 m-85 -109.48 147.83 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 60.4 t -119.25 162.45 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.442 ' N ' HG12 ' A' ' 105' ' ' VAL . 29.5 m-85 -147.27 148.96 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.824 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -98.74 95.82 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -50.11 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -145.87 141.48 16.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 166.41 29.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 43.2 t80 -50.68 101.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.609 ' CD2' HD13 ' A' ' 32' ' ' LEU . 87.2 m-70 -80.84 -33.29 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.16 -109.3 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CE1' HD21 ' A' ' 37' ' ' LEU . 2.5 t-80 -97.83 92.38 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.0 ttm -119.02 155.55 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -100.69 125.56 47.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -37.53 -64.03 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.53 -35.68 5.64 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.752 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.54 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.723 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.22 -52.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -47.38 -49.57 24.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.82 -40.63 72.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -59.73 -56.92 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.695 ' HB3' HD13 ' A' ' 48' ' ' LEU . 31.2 mt -52.43 -39.55 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -71.11 -43.46 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.25 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -55.72 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 95.41 -29.25 9.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 48' ' ' LEU . 55.8 mt-10 -38.33 115.85 0.87 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.0 136.96 21.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.84 50.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 111' ' ' TYR . 9.7 m -118.35 117.69 29.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -107.52 168.18 9.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -165.94 136.0 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.665 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.8 t -96.7 134.48 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.533 HH21 HG11 ' A' ' 44' ' ' VAL . 36.8 ptt85 -146.59 142.65 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 tt0 -67.15 137.64 56.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 136.81 49.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD21 ' CE1' ' A' ' 12' ' ' HIS . 83.4 mt -96.08 -22.89 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.92 -26.83 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -137.35 120.81 11.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 110.9 3.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.89 -41.37 1.81 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' CG ' ' SG ' ' A' ' 69' ' ' CYS . 1.0 OUTLIER -71.85 169.97 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 59.8 m-85 -140.82 159.85 41.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG11 HH21 ' A' ' 34' ' ' ARG . 60.8 t -119.52 140.97 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -116.6 102.54 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.1 m -96.3 110.98 23.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.721 HG22 ' CB ' ' A' ' 31' ' ' PHE . 71.4 t -113.86 129.25 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.4 tp -81.2 123.43 28.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -89.06 160.55 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -92.55 24.12 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -114.2 110.13 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.63 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.07 173.39 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -94.03 -43.98 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.22 -27.04 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.38 -126.26 5.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.43 1.63 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.5 p -113.89 153.85 46.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.28 32.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' CA ' ' A' ' 52' ' ' PRO . 88.3 mt -81.82 127.08 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.84 149.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.424 HG21 ' HA ' ' A' ' 19' ' ' GLU . 87.4 t -111.83 151.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -128.56 119.02 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 63.5 m-70 -100.82 106.66 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.03 98.72 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -61.37 133.72 56.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.77 111.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.2 mpp? -75.57 106.42 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.405 ' SG ' ' CG ' ' A' ' 42' ' ' ASP . 14.3 p -94.13 93.07 7.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.48 137.49 53.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.27 52.45 32.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.21 28.26 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -132.5 148.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -108.96 142.66 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.81 150.43 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.03 6.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' HE2' ' A' ' 68' ' ' MET . . . 114.4 18.09 6.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.96 176.83 16.71 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.72 -32.47 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.82 136.28 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.8 p -128.68 -178.23 4.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.804 ' CD2' HD12 ' A' ' 88' ' ' LEU . 24.3 m-85 -155.2 165.13 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.41 -41.23 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 p -124.53 153.43 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.37 -31.93 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -59.7 -53.54 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.34 -15.62 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.804 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.6 tt -91.14 -53.55 4.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 31' ' ' PHE . 11.1 t -62.15 -45.38 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.97 -7.76 38.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -93.86 -52.03 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.406 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 61.3 m-85 -80.56 -7.18 59.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -63.77 -12.96 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -63.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 45.6 p -53.05 -23.37 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 -174.12 40.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 65' ' ' ILE . 15.5 mt -124.22 149.99 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 tt0 -108.95 124.29 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -77.8 178.78 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.46 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -13.39 62.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.14 22.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.71 152.32 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.2 m-85 -108.6 151.45 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG1' HG11 ' A' ' 47' ' ' VAL . 45.0 t -120.55 165.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.482 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 54.9 m-85 -149.11 142.45 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.872 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -93.08 87.19 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -70.87 -57.85 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -139.04 141.19 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.04 156.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 72.4 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -46.34 -58.38 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 p -117.3 169.56 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.17 -157.18 31.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.32 87.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m 46.3 91.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.25 55.98 0.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -106.9 -31.73 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 55.3 t80 -54.92 106.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CD2' HD13 ' A' ' 32' ' ' LEU . 93.0 m-70 -90.9 15.88 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 82.24 -94.6 1.7 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.9 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.859 ' HE3' HD22 ' A' ' 21' ' ' LEU . 2.5 tpp -90.29 158.31 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.67 130.13 44.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.67 -63.86 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.34 -42.1 25.09 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.769 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.84 -52.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -46.72 -49.96 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -69.51 -43.6 72.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.859 HD22 ' HE3' ' A' ' 13' ' ' MET . 2.5 mp -57.8 -56.15 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 46' ' ' SER . 23.5 mt -55.71 -43.91 76.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.07 -43.73 94.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.44 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -52.12 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.56 62.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.778 ' O ' HD23 ' A' ' 48' ' ' LEU . 68.2 mt-10 -50.31 114.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.4 m95 74.8 52.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.0 m -121.89 119.2 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.743 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -107.42 167.25 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -165.79 141.52 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.9 t -96.68 132.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -146.33 134.39 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 15.6 mt-10 -66.25 133.73 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.69 107.21 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.4 -38.22 90.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -31.74 62.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.7 95.97 45.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.44 5.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.48 -31.45 6.17 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.12 -173.46 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 64.5 m-85 -149.9 163.89 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' NH2' ' A' ' 34' ' ' ARG . 99.1 t -125.97 143.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.6 tp -119.61 99.91 6.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -91.07 121.03 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.724 HG22 ' CB ' ' A' ' 31' ' ' PHE . 77.2 t -119.21 134.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.4 tp -84.61 126.03 32.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.06 158.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.45 23.08 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -111.6 109.99 55.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.628 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.95 173.1 15.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -93.5 -44.24 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.36 -26.81 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.67 -126.76 5.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.63 4.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.91 -1.97 38.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.2 p -109.48 152.95 43.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.85 28.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.0 mt -78.7 126.61 30.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.01 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.7 t -130.06 147.79 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -124.77 117.56 24.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 92.1 m-70 -94.48 109.3 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.98 92.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -55.96 151.93 10.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.8 t -121.16 114.54 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.505 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.9 mtm -87.1 103.91 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 p -88.02 93.97 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.44 140.28 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.95 47.25 66.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.45 24.6 24.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -132.13 150.93 52.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 35.1 m-85 -108.19 143.95 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.1 t -155.75 147.98 23.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.8 m -92.78 7.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.19 -0.02 20.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.12 176.16 38.71 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -29.75 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.76 144.9 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.4 p -132.92 -174.99 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 88' ' ' LEU . 23.9 m-85 -160.97 165.02 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.07 -41.02 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -124.67 148.39 48.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.6 mm? -55.7 -25.16 38.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -65.22 -51.88 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -65.41 -13.09 57.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tt -93.38 -54.91 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -60.3 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.4 -19.41 55.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -82.21 -54.82 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.1 m-85 -76.26 -7.27 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -64.68 -16.81 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -62.68 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 44.5 p -53.26 -23.96 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.31 -171.03 44.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.0 mt -129.33 155.5 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.749 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -116.43 129.89 56.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.96 -173.9 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.91 -24.99 16.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -7.2 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.64 59.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.63 152.78 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.36 156.65 18.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 96.6 t -130.63 154.48 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.93 141.47 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -91.67 79.71 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -57.48 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -142.35 145.27 34.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 32' ' ' LEU . 25.5 t80 -97.55 118.95 35.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.514 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 15.3 p 58.55 167.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.18 -179.06 15.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -62.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.787 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.6 m -81.75 150.25 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -114.1 -60.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -129.94 -60.12 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -81.51 86.82 6.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.81 -90.04 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.14 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m 71.5 -61.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.17 -84.66 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.598 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.7 OUTLIER -41.97 -43.3 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.402 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.1 t80 -51.07 101.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 67.3 m80 -90.17 -14.29 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.72 -122.24 7.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.163 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -101.14 81.64 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.414 ' HE3' HD22 ' A' ' 21' ' ' LEU . 6.9 tpp -97.42 148.26 23.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.941 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.69 -64.13 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.24 -35.7 14.91 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.77 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -61.12 -61.65 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -39.09 -55.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.6 mt-10 -44.36 -48.88 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -71.47 -41.44 69.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -58.93 -54.1 50.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.677 ' HB3' HD13 ' A' ' 48' ' ' LEU . 18.6 mt -57.11 -43.4 82.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.92 -49.33 70.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.07 -36.66 5.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -62.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 100.8 -29.56 12.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 63.3 mt-10 -38.42 114.22 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 136.19 20.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.673 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 22.9 m95 74.1 52.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.7 m -122.0 120.58 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.836 ' CG ' HD23 ' A' ' 107' ' ' LEU . 4.4 p90 -107.75 166.55 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.1 pp -166.74 140.99 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.598 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 15.8 t -96.38 132.66 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -146.09 135.02 22.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 137.24 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 114.47 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.36 -44.25 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -33.04 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.77 96.2 48.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.12 -34.37 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -94.83 -176.95 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -142.72 153.12 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG21 ' NH2' ' A' ' 34' ' ' ARG . 47.2 t -114.14 145.04 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.4 tp -121.06 95.8 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -89.14 115.0 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.812 HG22 ' CB ' ' A' ' 31' ' ' PHE . 38.1 t -115.76 137.6 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.8 tp -86.11 135.4 33.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 p -100.92 161.45 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -91.12 18.07 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -108.93 106.28 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.636 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 168.12 25.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -85.65 -45.93 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.74 -27.27 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.14 -73.22 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.24 12.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.28 38.88 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 52' ' ' PRO . 48.9 p -108.74 148.46 37.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.9 17.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.572 1.827 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CA ' ' A' ' 52' ' ' PRO . 76.2 mt -77.35 125.39 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -46.8 148.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 19' ' ' GLU . 99.7 t -111.61 149.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -124.28 111.68 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 72.6 m-70 -91.73 104.02 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.74 93.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -58.03 145.88 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.59 103.61 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.9 122.85 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 t -109.29 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -128.69 143.05 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.24 36.74 53.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.19 24.83 67.62 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -125.47 142.86 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -108.82 139.82 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 t -156.23 151.48 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.86 6.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.45 2.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.42 177.06 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.7 -47.63 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.02 147.61 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.44 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 6.8 p -139.95 -179.12 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.0 m-85 -155.57 170.74 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -108.09 -38.51 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 m -118.34 143.85 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -40.95 73.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 m -56.43 -44.95 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.25 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.5 tt -86.38 -46.65 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -68.22 -42.98 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.37 -6.21 41.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -92.16 -48.13 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 43.7 m-85 -84.31 -7.19 59.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -67.26 -11.4 57.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -62.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 95' ' ' THR . 50.9 p -52.14 -46.47 65.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.07 174.7 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 65' ' ' ILE . 8.4 mt -114.06 143.78 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 21.2 tt0 -106.11 117.96 35.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -174.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -102.73 5.35 38.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -102.38 -4.31 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.33 -20.83 43.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.75 155.07 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.2 m-85 -112.13 149.03 32.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.673 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 37.3 t -118.62 147.56 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -131.43 145.78 51.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.5 mp -94.94 64.79 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -47.17 -34.14 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -169.42 160.13 7.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.94 178.34 7.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 6.6 t80 -88.36 -18.07 29.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CE1' ' HG2' ' A' ' 110' ' ' PRO . 4.6 m-85 56.95 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' TYR . 7.4 t 74.59 140.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.64 -152.92 14.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.5 m 63.64 158.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.58 -68.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -174.08 155.21 2.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.8 166.36 11.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.038 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.1 159.44 2.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.21 125.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -113.34 70.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.49 68.03 0.41 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -106.12 -30.44 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -54.93 103.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.78 ' CD2' HD13 ' A' ' 32' ' ' LEU . 92.4 m-70 -83.96 -33.97 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.44 -141.1 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.28 91.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.3 tpp -111.36 154.57 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLN . 3.3 m -99.12 124.57 44.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.07 -64.4 0.8 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.71 -34.53 7.02 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.74 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.8 -65.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.92 -56.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.0 mt-10 -44.72 -48.07 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -72.38 -42.35 65.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.74 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.44 -55.95 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 48' ' ' LEU . 27.0 mt -54.84 -38.63 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -69.55 -37.41 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.79 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -56.07 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -11.24 72.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.8 mp0 -56.4 119.54 29.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.05 134.31 17.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.9 m95 74.04 42.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 24.8 m -106.34 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.822 ' CE2' HG11 ' A' ' 89' ' ' VAL . 8.3 p90 -107.04 167.34 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.5 pp -166.54 136.03 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.2 t -97.1 134.13 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -146.05 160.27 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -80.56 130.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.18 138.88 47.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD21 ' ND1' ' A' ' 12' ' ' HIS . 85.3 mt -95.73 -43.93 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -5.65 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -144.14 107.0 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 118.63 -40.9 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.85 177.65 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 81.7 m-85 -143.57 162.05 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.52 143.41 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 HD21 ' A' ' 107' ' ' LEU . 46.2 tp -121.6 92.32 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -82.82 117.6 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 31' ' ' PHE . 54.1 t -118.52 132.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.87 131.65 35.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 p -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.81 16.69 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -108.56 107.64 60.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.632 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.94 173.46 14.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 61' ' ' ARG . 15.6 mtpt -89.93 -45.64 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -117.07 -27.16 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.79 -122.89 4.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.48 6.44 41.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 95.9 p -114.39 153.67 46.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 ' CA ' ' A' ' 52' ' ' PRO . 46.5 mt -79.38 122.79 26.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -40.87 150.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 19' ' ' GLU . 93.7 t -114.3 145.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -125.95 119.26 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 45.0 m-70 -100.58 110.93 23.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 92.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.3 150.26 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.1 t -121.32 133.74 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.461 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 16.3 mtm -102.56 111.67 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.6 p -95.84 93.3 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.31 129.17 51.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.4 38.03 56.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.5 21.17 70.45 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 130.71 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' A' ' 85' ' ' LEU . 22.9 m-85 -96.9 137.16 36.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.431 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.5 151.06 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.6 m -94.43 7.23 6.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.403 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.21 12.4 9.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.88 177.08 19.11 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -66.04 -53.18 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.56 143.6 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 2.6 p -132.84 -174.46 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.917 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.6 m-85 -157.79 144.12 17.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.88 -31.61 35.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -133.59 159.93 38.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.6 mm? -64.16 -25.95 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.7 m -65.3 -51.21 62.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -12.5 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.917 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.5 tt -91.77 -51.02 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.2 t -65.01 -52.36 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.36 -13.01 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -86.1 -50.99 6.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -83.8 -6.49 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' CD ' HG12 ' A' ' 89' ' ' VAL . 1.2 mtpp -67.68 -8.74 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -62.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 44.3 p -50.98 -51.98 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 175.56 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -119.49 154.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.766 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -117.5 120.84 39.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.77 -174.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.13 -18.02 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -77.61 -1.59 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.09 14.96 58.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.49 154.68 21.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.71 147.57 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.5 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t -122.61 159.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -142.77 150.44 40.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.699 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -99.92 94.62 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 40.0 mtp180 -76.37 -57.59 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -140.71 143.49 32.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.01 168.43 24.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 31.8 t80 -97.12 130.69 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -114.87 116.58 28.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 135.61 38.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.55 69.48 0.13 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.63 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.5 t -58.8 110.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.2 p -135.66 140.7 44.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 t -156.11 -62.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t 65.14 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.74 -72.2 0.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p -53.86 148.83 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' HB2' ' CE2' ' A' ' 8' ' ' TRP . 80.5 p -42.28 142.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.22 50.91 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.89 -40.58 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -51.24 101.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.3 m-70 -81.12 -23.93 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.76 -113.98 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.32 92.28 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.736 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 45.7 ttm -115.44 141.39 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 128.24 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.02 -64.15 2.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.45 -36.02 22.78 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.764 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.01 -59.62 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.63 -48.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -49.99 -52.12 36.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 m -67.97 -41.27 82.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -59.29 -56.68 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.7 mt -56.05 -42.71 77.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.7 mt-30 -65.6 -41.21 93.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.12 -36.06 60.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -53.67 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.73 -32.93 5.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 48' ' ' LEU . 73.7 mt-10 -38.49 114.94 0.84 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 139.95 24.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m95 73.7 46.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 27.9 m -114.1 116.98 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.855 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.7 p90 -107.31 165.79 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.62 138.69 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 7.8 t -96.88 134.73 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -146.22 145.45 30.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.91 125.53 29.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 135.75 57.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.76 -41.32 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -74.38 -23.23 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -125.81 101.95 29.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.53 -32.14 3.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -87.8 175.06 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 13.1 m-85 -139.28 158.81 43.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.4 t -122.95 142.56 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.9 tp -119.43 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -90.14 113.6 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.75 HG22 ' CB ' ' A' ' 31' ' ' PHE . 62.9 t -114.03 125.99 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.6 tp -76.42 122.94 25.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.95 165.53 13.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -96.33 24.72 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.67 109.64 55.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.598 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.06 169.49 22.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -89.39 -44.75 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.02 -27.06 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.93 -125.39 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.82 5.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.34 4.14 55.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 66.4 p -113.47 153.1 45.77 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -75.03 139.88 24.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.5 mt -77.88 125.89 30.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -45.2 160.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.9 t -121.15 147.14 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -120.41 111.3 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -92.87 105.9 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.6 mp -96.99 98.7 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -62.19 140.14 58.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.1 t -112.55 105.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.454 ' HB2' HG23 ' A' ' 75' ' ' THR . 19.6 mtm -74.52 122.95 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 t -109.22 93.53 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.05 143.86 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.91 32.34 26.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.16 24.53 74.7 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -125.13 142.35 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -103.85 138.35 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.3 t -156.04 147.22 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.66 6.62 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.01 23.66 4.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.72 176.83 16.44 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 150.44 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.3 p -141.13 -179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CG ' ' C ' ' A' ' 81' ' ' THR . 30.8 m-85 -154.71 164.89 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -41.15 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 m -124.11 144.66 49.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.22 -29.1 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -62.08 -52.84 62.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -16.33 61.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.8 tt -88.03 -49.8 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 31' ' ' PHE . 42.0 t -67.36 -38.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.29 -6.35 42.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -91.97 -54.48 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.569 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 81.3 m-85 -79.2 -7.0 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.45 ' CD ' HG12 ' A' ' 89' ' ' VAL . 12.9 mtpt -64.52 -12.07 40.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -62.75 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.1 p -52.75 -28.47 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.79 -174.43 54.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.504 HD13 HD13 ' A' ' 65' ' ' ILE . 11.1 mt -126.39 147.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.85 132.42 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.11 174.33 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.3 -11.74 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.9 p -92.54 28.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.37 17.17 24.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.59 154.4 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.39 149.39 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 94.5 t -126.91 151.24 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -136.75 149.86 48.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.855 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -98.14 92.8 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.87 141.82 31.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.467 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 29.2 t80 -97.5 122.75 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -91.19 -41.78 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t 69.99 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.54 45.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.62 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.8 m -45.14 156.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -58.22 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -170.95 119.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -157.83 -55.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.76 139.64 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -76.6 143.83 39.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -69.67 -175.1 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.83 70.86 0.42 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.67 -22.61 13.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 73.2 t80 -57.14 99.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CD2' HD13 ' A' ' 32' ' ' LEU . 85.4 m-70 -72.39 -19.87 61.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 106.62 -125.3 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' A' ' 35' ' ' GLU . 1.8 m80 -98.42 87.13 3.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.7 tpp -105.29 151.37 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -87.71 139.14 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' NH1' ' A' ' 34' ' ' ARG . . . -49.96 -64.23 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.54 -30.46 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -72.23 -64.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.07 -44.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -56.43 -50.98 70.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -67.42 -40.54 85.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -59.33 -57.59 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 46' ' ' SER . 27.3 mt -53.52 -42.73 67.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.0 mt-30 -68.55 -34.87 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -60.2 -30.76 69.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -54.01 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.67 -24.43 26.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.753 ' O ' HD23 ' A' ' 48' ' ' LEU . 29.2 mt-10 -44.96 114.7 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.97 133.05 16.16 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.8 m95 76.3 45.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 91.8 m -112.62 119.04 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 89' ' ' VAL . 9.2 p90 -107.29 167.24 10.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -164.32 139.84 5.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.5 t -96.66 128.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.875 HH21 HG11 ' A' ' 44' ' ' VAL . 3.6 ptt180 -146.53 142.4 27.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 1.2 tt0 -72.64 149.17 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 123.51 30.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.31 -30.58 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.43 -34.69 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -116.73 100.27 53.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.5 -34.99 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.84 -176.32 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -148.63 154.09 39.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.875 HG11 HH21 ' A' ' 34' ' ' ARG . 45.8 t -118.52 147.73 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 56.7 tp -124.33 95.71 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.1 t -88.61 117.97 27.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.661 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.2 t -116.37 134.21 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.8 tp -85.28 124.82 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.14 160.54 15.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -91.98 23.82 3.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.32 110.76 50.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.563 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 171.37 18.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -92.03 -44.32 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.08 -27.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.94 -131.2 6.53 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 111.66 3.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.29 -19.05 10.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 77.2 p -99.65 153.79 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 144.39 30.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.563 HD23 ' CA ' ' A' ' 52' ' ' PRO . 38.4 mt -76.68 130.67 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -46.61 168.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 19' ' ' GLU . 90.6 t -127.97 151.86 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -129.02 112.33 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -90.55 104.98 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.825 HG12 HG21 ' A' ' 97' ' ' ILE . 2.2 mp -90.62 92.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.73 147.24 23.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.06 116.28 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.494 ' HB2' HG23 ' A' ' 75' ' ' THR . 11.3 mtm -85.61 104.11 15.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.16 95.16 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.04 135.62 50.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.67 41.22 89.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.55 14.21 48.65 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -117.03 149.86 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.8 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -113.14 140.8 47.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.518 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.72 150.45 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' C ' ' HE3' ' A' ' 68' ' ' MET . 3.0 m -92.28 4.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.52 29.59 2.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.21 172.88 19.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -37.68 88.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.39 141.95 58.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.518 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -136.8 -178.41 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CD2' HD12 ' A' ' 88' ' ' LEU . 29.2 m-85 -154.86 159.74 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -88.21 -43.05 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -123.69 161.2 25.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 m -66.88 -46.07 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -11.21 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.2 tt -94.61 -51.51 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.7 t -63.47 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.64 -12.87 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -86.32 -51.7 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.21 -6.44 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' CD ' HG12 ' A' ' 89' ' ' VAL . 23.2 mtpt -67.25 -9.39 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 95' ' ' THR . 44.7 p -50.97 -56.23 13.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.11 178.33 24.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.825 HG21 HG12 ' A' ' 65' ' ' ILE . 6.6 mt -124.46 136.09 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.25 129.07 42.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -80.33 168.61 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.6 -12.42 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 p -84.44 -17.34 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.92 -19.83 24.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 150.62 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -101.81 159.5 15.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 89.6 t -136.39 149.23 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -135.26 153.3 51.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.826 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -85.63 -50.36 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -143.14 140.95 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.0 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' HD2' HD22 ' A' ' 32' ' ' LEU . 26.5 t80 -99.33 126.31 45.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -95.77 -47.8 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 p 60.62 165.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.87 177.68 16.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.26 24.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.7 m -63.18 163.11 10.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -58.95 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.3 109.25 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.59 111.24 22.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.98 134.25 31.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -139.19 86.79 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p 53.35 83.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.32 62.51 0.64 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.113 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -104.69 -28.17 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -57.06 102.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.607 ' HD2' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -79.49 -23.93 42.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.05 -113.2 4.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -102.77 80.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' HB3' ' A' ' 10' ' ' HIS . 20.4 tpp -106.38 145.11 32.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -83.66 132.16 34.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 34' ' ' ARG . . . -43.56 -61.24 2.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.38 -37.35 11.98 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.757 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.86 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.57 -49.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -49.93 -53.02 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -67.05 -38.76 86.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.6 mp -61.85 -58.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 46' ' ' SER . 14.3 mt -54.11 -46.68 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 78.8 mt-30 -62.73 -50.04 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.24 -37.13 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 99.11 -31.14 8.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 48' ' ' LEU . 46.3 mt-10 -38.35 113.8 0.75 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.3 m95 74.16 51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 111' ' ' TYR . 8.1 m -120.44 118.18 29.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.9 p90 -107.89 168.92 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.4 pp -167.21 140.19 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.1 t -100.51 128.63 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NH2' ' N ' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.13 143.27 29.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.95 138.97 58.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -80.6 117.38 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 14' ' ' SER . 66.2 mt -70.84 -50.31 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -63.83 -30.14 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -121.08 89.26 46.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 111.2 3.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.34 -12.74 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.12 -178.76 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -137.21 156.79 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' OG ' ' A' ' 36' ' ' SER . 58.6 t -117.91 145.31 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.3 tp -120.08 96.95 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.7 m -91.86 111.3 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.674 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -112.99 131.07 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.9 tp -82.63 125.37 31.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 161.95 14.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.91 22.5 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -111.43 111.05 55.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.564 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.93 174.23 13.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -94.89 -44.06 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.51 -26.96 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 130.54 -130.71 6.25 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.22 5.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.82 -3.57 36.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.583 1.177 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -110.31 153.82 43.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.934 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.424 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.99 141.57 26.82 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' PRO . 62.3 mt -76.32 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 157.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.508 HG11 ' HG2' ' A' ' 19' ' ' GLU . 99.0 t -117.91 144.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -122.99 117.11 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 31.4 m-70 -98.06 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -96.0 94.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -57.1 139.0 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.7 113.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.8 mtm -80.75 116.63 20.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 49.6 t -107.49 93.96 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.51 124.76 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.79 36.09 91.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.94 68.9 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 132.35 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 21.9 m-85 -98.27 137.57 36.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.413 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -155.63 145.86 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.47 7.19 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.12 16.67 6.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.54 176.93 17.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -47.78 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.08 145.08 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 4.5 p -131.32 -172.68 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 11.4 m-85 -159.01 154.54 25.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.51 -33.17 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -126.06 147.16 49.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -56.1 -32.12 63.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.426 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 21.1 m -62.41 -53.78 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -22.09 61.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.9 tt -81.24 -50.09 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.603 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.4 t -67.72 -45.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.62 -15.2 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -84.19 -55.24 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -79.37 -6.77 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -13.6 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.37 -63.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.6 p -52.75 -23.23 6.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.82 177.81 20.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.427 1.08 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 65' ' ' ILE . 8.3 mt -113.57 152.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 24.2 tt0 -111.68 130.76 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -87.39 175.24 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.84 -23.23 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -14.93 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.74 26.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.36 153.99 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.6 m-85 -111.5 151.36 28.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.505 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 91.1 t -120.67 151.05 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.32 141.57 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -91.4 81.3 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -63.06 -52.7 61.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.45 146.35 20.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.01 165.29 31.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 30' ' ' THR . 64.3 t80 -113.3 133.95 54.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -109.64 168.66 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.61 -46.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.66 161.84 0.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.19 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.2 t -163.81 151.31 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -161.48 152.39 18.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -143.08 163.76 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.14 -158.63 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -54.39 124.88 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 109.958 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NE1' ' A' ' 8' ' ' TRP . 0.6 OUTLIER 51.08 -171.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.87 65.58 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -106.16 -20.71 13.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 66.8 t80 -59.1 103.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.576 ' CD2' HD13 ' A' ' 32' ' ' LEU . 86.9 m-70 -73.28 -32.69 64.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.44 -126.4 8.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.32 81.01 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -110.47 139.98 45.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.4 t -84.11 125.24 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -40.0 -64.47 1.09 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.85 -32.5 2.25 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.753 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.19 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.303 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -48.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.2 mt-10 -49.72 -52.43 31.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -68.67 -39.8 80.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.8 mp -60.43 -57.4 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' O ' HD22 ' A' ' 48' ' ' LEU . 24.8 mt -53.07 -37.99 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -71.19 -43.03 68.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.72 -40.02 26.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -54.9 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.14 -28.79 10.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.708 ' O ' HD23 ' A' ' 48' ' ' LEU . 67.7 mt-10 -40.64 115.44 1.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 138.8 23.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.6 m95 74.69 47.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.026 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.1 m -115.06 116.6 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -106.88 167.19 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.3 pp -166.72 138.93 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.73 134.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.43 166.15 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -92.11 136.45 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.68 123.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.96 -44.79 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -30.99 71.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.175 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.02 96.1 42.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.77 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.11 -18.94 7.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -100.34 -175.76 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.0 154.01 40.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' HB ' ' NH1' ' A' ' 34' ' ' ARG . 45.2 t -121.26 147.15 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 31' ' ' PHE . 51.1 tp -122.39 99.58 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -91.69 117.18 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 ' CB ' ' A' ' 31' ' ' PHE . 69.2 t -116.11 128.52 73.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.1 tp -79.39 119.88 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.13 161.66 17.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.74 19.79 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -108.77 110.56 61.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.61 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 175.96 10.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -43.97 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.34 -26.78 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 124.22 -122.25 4.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.57 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.81 6.01 58.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.729 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 91.6 p -111.63 153.18 44.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.87 27.35 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.6 mt -79.85 125.51 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -44.9 165.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' HG2' ' A' ' 19' ' ' GLU . 90.8 t -126.8 144.11 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.2 m -120.18 116.73 26.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -96.45 112.03 23.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 97' ' ' ILE . 3.0 mp -100.92 92.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -54.22 150.09 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.17 106.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 2.6 mtm -83.34 123.74 29.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.6 93.43 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.49 134.76 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.4 38.46 90.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.06 34.83 85.39 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -137.02 139.3 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE2' HD23 ' A' ' 85' ' ' LEU . 39.6 m-85 -102.21 139.91 37.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.438 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.8 t -155.95 149.89 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' C ' ' HE3' ' A' ' 68' ' ' MET . 17.5 m -95.1 6.6 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.91 27.76 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.27 171.44 18.03 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.78 -43.42 98.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.47 152.87 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.9 p -145.91 -178.28 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.684 ' CD2' HD12 ' A' ' 88' ' ' LEU . 27.6 m-85 -157.22 159.8 38.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -38.07 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 m -125.29 151.91 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.032 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' A' ' 74' ' ' TYR . 1.4 mm? -59.49 -30.5 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 m -61.5 -49.72 75.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.86 -13.87 48.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.684 HD12 ' CD2' ' A' ' 82' ' ' PHE . 7.7 tt -91.25 -58.79 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 31' ' ' PHE . 10.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.11 -17.31 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -84.5 -47.27 10.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -84.39 -8.55 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -65.04 -11.74 42.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -118.99 -63.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 95' ' ' THR . 49.8 p -53.36 -35.67 60.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.63 -173.87 54.0 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -125.82 145.34 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -102.74 121.82 43.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 105' ' ' VAL . 14.7 mt-10 -75.67 -177.77 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 -20.08 22.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.83 -4.95 46.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.27 -4.9 67.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.37 152.28 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.02 155.69 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.52 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 85.9 t -131.71 149.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -134.37 149.47 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.701 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -97.96 93.55 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -75.5 -50.42 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.17 146.52 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 174.17 13.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 47.1 t80 -106.56 145.61 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -126.36 148.85 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 p -111.54 155.76 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.92 85.43 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 t -102.57 -64.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.62 158.78 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -77.63 80.84 4.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -59.22 -60.54 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.91 159.08 32.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.27 117.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -60.98 163.42 5.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.48 100.41 0.16 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -168.13 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.17 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 78.5 m80 -77.83 -26.98 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 -115.45 4.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -94.9 82.12 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 22.8 tpp -111.73 144.71 40.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 129.76 35.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.6 -64.04 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.03 -38.48 4.72 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.89 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.82 -55.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -44.26 -49.13 9.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -70.92 -44.28 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -56.56 -52.62 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 48' ' ' LEU . 12.5 mt -59.06 -45.01 91.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.4 mt-30 -62.34 -46.47 88.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.226 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.14 -39.05 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -53.35 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.62 23.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.735 ' O ' HD23 ' A' ' 48' ' ' LEU . 94.9 mt-10 -41.46 115.62 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.0 130.89 13.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.488 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.7 m95 79.16 54.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 4.2 m -122.13 116.92 25.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -107.58 168.41 9.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.6 pp -166.57 136.25 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.1 t -96.64 132.52 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.06 143.67 29.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 2.0 tt0 -70.46 138.74 51.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.1 111.65 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.15 -51.2 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -29.93 71.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -121.83 93.01 48.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.67 -11.97 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -114.64 -178.04 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 35' ' ' GLU . 97.2 m-85 -144.14 155.63 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.1 144.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 31' ' ' PHE . 13.7 tp -120.28 106.6 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -101.07 109.68 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 31' ' ' PHE . 90.1 t -108.86 134.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.0 tp -84.36 125.9 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -94.14 158.52 15.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.53 16.73 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -106.57 108.98 62.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.65 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 174.73 12.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -93.83 -44.31 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.46 -26.87 7.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.63 -127.6 5.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.15 3.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 1.01 30.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.552 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 82.0 p -113.11 154.0 45.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 140.44 25.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.1 mt -76.79 126.25 30.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 160.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 19' ' ' GLU . 88.2 t -124.95 148.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -124.63 118.97 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 40.6 m-70 -99.8 113.31 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.634 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 97' ' ' ILE . 3.1 mp -99.86 92.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.84 120.49 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -88.26 125.51 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.5 mtm -93.47 113.15 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -102.5 93.69 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.45 130.35 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.54 84.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.69 24.32 74.05 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -125.83 138.21 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.25 136.75 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.572 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.2 t -155.49 147.34 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 65' ' ' ILE . 3.0 m -92.8 7.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.86 14.55 7.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.64 176.32 19.34 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.79 -37.93 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.06 144.09 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -136.2 -177.16 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 81' ' ' THR . 20.9 m-85 -156.07 164.15 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.89 -37.94 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 p -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.59 -27.18 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -64.25 -49.03 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -16.21 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.7 tt -85.09 -52.35 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 31' ' ' PHE . 14.5 t -67.03 -38.9 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.85 -10.36 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -89.29 -57.31 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 88.8 m-85 -75.26 -7.17 53.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -14.64 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -63.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 95' ' ' THR . 46.7 p -52.18 -42.24 63.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.02 -176.29 48.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 65' ' ' ILE . 5.6 mt -121.64 155.15 25.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.4 tt0 -113.2 132.34 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -82.07 178.28 8.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.93 -15.39 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.5 p -81.44 -13.39 58.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.06 -20.48 26.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 153.15 36.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.9 m-85 -110.8 154.61 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.488 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 82.6 t -126.16 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.763 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -99.98 86.12 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 18.0 mtp-105 -69.98 -44.69 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -150.72 146.74 19.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.05 -175.58 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 68.5 t80 -121.82 139.86 53.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 18.3 m-85 -120.55 154.17 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.5 p -119.7 137.85 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -163.85 156.81 28.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 -56.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.54 113.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.76 95.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 0.0 110.052 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.94 91.58 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.42 -100.71 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.71 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.28 -174.31 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.77 68.43 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.35 -12.91 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -66.19 100.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -73.19 -28.45 62.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.07 -134.13 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.1 84.48 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.612 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.441 ' HE2' HD22 ' A' ' 21' ' ' LEU . 34.4 ttm -108.66 139.34 43.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -82.48 129.42 34.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -39.18 -63.99 1.02 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.16 4.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.767 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.57 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -49.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -50.47 -53.19 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -39.92 88.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -60.74 -63.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 46' ' ' SER . 15.7 mt -49.02 -39.54 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 81.2 mt-30 -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.13 -38.53 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -77.39 -56.31 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.82 -18.6 56.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -47.97 116.65 4.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.32 20.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 72.43 44.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 55.5 m -109.99 117.38 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.2 p90 -107.25 168.18 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.73 147.8 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.6 t -104.16 135.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' NH2' HG11 ' A' ' 44' ' ' VAL . 13.7 ptt85 -146.32 165.8 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.6 146.03 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 127.28 34.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.15 -47.4 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -16.95 64.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -138.25 106.36 7.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.84 -37.3 2.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.31 169.24 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.99 156.88 48.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' NH2' ' A' ' 34' ' ' ARG . 63.0 t -118.07 144.81 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.3 tp -123.13 91.3 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.62 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.8 t -85.68 120.06 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -118.98 128.85 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -80.72 125.13 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.49 160.71 15.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.99 19.61 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.3 112.46 57.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.596 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 175.86 10.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -44.38 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.61 -26.57 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 -129.72 6.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.56 -4.11 19.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 52.7 p -110.92 153.89 43.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 140.7 25.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 52' ' ' PRO . 94.8 mt -73.12 124.24 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 160.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.7 t -122.01 154.82 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -132.77 110.73 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 91.2 m-70 -89.21 110.07 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -100.05 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -63.24 157.07 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.1 t -130.48 115.56 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.56 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 7.2 mtm -85.98 117.42 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.469 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 17.9 t -104.32 94.11 5.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.51 124.59 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.34 95.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 20.85 50.02 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.53 136.7 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.801 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -109.86 138.05 46.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.452 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.83 153.83 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' MET . 18.0 m -96.03 6.78 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.9 32.27 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.81 177.08 18.9 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -46.24 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.22 139.46 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.492 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 15.4 p -133.68 -175.22 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.687 ' HD2' HD12 ' A' ' 88' ' ' LEU . 16.7 m-85 -158.62 157.98 32.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -95.71 -34.15 12.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -121.74 137.38 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.67 -28.97 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 -55.1 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -17.11 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' A' ' 82' ' ' PHE . 9.0 tt -87.4 -52.11 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.3 t -66.93 -39.03 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.99 -14.05 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 7.8 t-80 -85.45 -52.71 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 75.2 m-85 -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.63 -16.26 64.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -112.54 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 52.9 p -52.91 -53.44 49.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.82 -175.83 24.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 65' ' ' ILE . 8.1 mt -123.13 149.96 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.757 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -108.19 125.42 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.52 -176.81 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.74 -11.51 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.83 -5.46 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.17 -2.92 58.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.73 153.24 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -106.44 160.79 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.528 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 41.4 t -138.21 156.86 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -142.05 148.71 38.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.728 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -96.43 99.14 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 12.5 mtt-85 -82.4 -61.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -136.49 141.26 34.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.98 156.35 43.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.631 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 71.4 t80 -99.17 149.22 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.9 t -135.45 137.87 42.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -100.73 -99.95 2.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.47 31.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.9 m -67.94 151.35 47.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.43 118.55 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 t -170.14 92.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.02 113.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.13 158.22 7.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -94.38 75.11 3.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER 53.82 -165.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.59 64.11 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.644 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -108.06 -13.94 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 100.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.839 ' CD2' HD13 ' A' ' 32' ' ' LEU . 88.5 m-70 -73.58 -32.05 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.34 -140.06 15.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 87.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 ttm -112.23 127.88 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 37' ' ' LEU . 5.0 t -69.12 141.2 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.44 -64.23 4.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.85 -26.73 2.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -74.83 -63.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.49 -51.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -48.87 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.03 -40.9 74.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG2' ' A' ' 17' ' ' GLN . 1.9 mp -59.22 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 46' ' ' SER . 21.7 mt -52.39 -41.0 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.56 -40.05 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -52.62 -35.93 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CG ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -78.95 -56.65 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.12 -22.47 38.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.566 ' O ' HD23 ' A' ' 48' ' ' LEU . 12.2 mp0 -47.12 115.93 3.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.04 137.6 21.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 73.4 40.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.3 m -107.31 116.68 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.844 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.5 p90 -107.12 166.72 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.25 143.34 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.644 HG21 ' CE3' ' A' ' 8' ' ' TRP . 11.3 t -96.61 133.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.48 165.98 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.51 139.65 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.67 110.09 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 14' ' ' SER . 14.6 mt -64.1 -43.43 95.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -32.23 72.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.28 95.83 48.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 108.66 2.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -19.99 4.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -171.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -147.06 154.5 41.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.97 146.19 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -123.1 92.63 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.9 m -85.63 119.7 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.797 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.5 t -120.28 127.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.7 tp -80.01 121.21 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.94 160.66 17.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.35 26.52 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -116.27 111.94 42.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.542 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.0 170.64 19.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -90.2 -44.38 9.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.59 -27.31 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.72 -127.36 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.11 2.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.61 -3.45 17.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 43.7 p -112.9 153.56 45.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.6 mt -75.09 123.23 24.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -41.52 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.52 145.51 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.6 m -123.39 118.09 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -99.45 109.26 21.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' A' ' 97' ' ' ILE . 2.9 mp -96.7 92.55 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 142.83 41.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.38 127.31 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 6.8 mtm -100.85 110.73 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 42.9 t -96.38 94.36 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.91 139.73 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 33.5 39.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.74 69.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -118.62 133.41 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 85' ' ' LEU . 85.8 m-85 -102.51 140.12 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.4 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.3 t -155.45 149.29 25.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.85 7.41 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.19 14.72 7.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.087 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.72 176.84 19.05 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -44.48 72.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 91' ' ' HIS . 5.9 mt-10 -59.09 146.4 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.453 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.7 p -134.48 -177.02 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 21.3 m-85 -156.49 155.57 32.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.81 -31.03 14.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 m -128.73 145.94 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.5 mm? -55.59 -28.42 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -66.03 -50.55 63.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -15.03 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 88' ' ' LEU . 2.1 tt -87.93 -46.69 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -71.02 -40.35 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.66 -12.11 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' ' OE1' ' A' ' 80' ' ' GLU . 79.3 t60 -83.79 -59.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.72 -6.99 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.3 -17.06 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 -63.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.2 p -53.5 -56.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.65 -178.63 25.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.9 mt -119.66 143.48 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -96.78 129.56 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -85.26 164.31 18.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.31 -14.91 62.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.4 -19.64 35.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.68 -22.66 16.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.9 45.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.86 158.92 15.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.555 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.7 t -132.68 148.73 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -135.32 151.8 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.844 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -100.15 101.06 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -84.54 -59.58 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.18 138.35 28.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.0 156.79 43.02 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 32' ' ' LEU . 20.9 t80 -80.04 148.53 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -135.52 111.87 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.55 143.32 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.05 101.12 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.03 151.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.4 m -116.74 135.09 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -154.87 135.35 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -76.17 131.8 39.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.62 131.36 2.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -145.91 111.6 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 8' ' ' TRP . 92.4 p 55.48 175.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 8' ' ' TRP . . . 170.64 99.76 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.614 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -177.12 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -51.8 102.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.512 ' CE1' ' HB2' ' A' ' 32' ' ' LEU . 74.7 m80 -78.98 -26.19 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.9 4.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -97.13 81.3 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.453 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 27.3 tpp -109.88 141.09 43.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 m -80.36 128.15 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.96 -61.44 2.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.49 -34.83 6.83 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.758 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.85 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.94 -53.45 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -45.58 -50.32 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.02 -43.34 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -57.21 -56.0 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.9 mt -53.74 -46.09 70.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.83 -43.93 94.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.3 17.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -53.53 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.43 -23.67 26.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 87.5 mt-10 -41.15 115.6 1.33 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.3 m95 83.82 54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.1 m -123.14 117.41 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -107.29 168.39 9.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 10' ' ' HIS . 2.4 pp -165.58 137.0 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.9 t -96.65 130.69 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.33 138.04 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.75 136.25 55.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -73.34 103.6 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.64 -50.16 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -29.48 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -121.51 93.56 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.73 3.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.34 -21.37 5.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.54 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.28 157.84 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG23 ' OG ' ' A' ' 36' ' ' SER . 51.3 t -119.75 145.96 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 31' ' ' PHE . 62.7 tp -125.85 99.45 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.5 m -92.83 116.58 29.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 31' ' ' PHE . 76.7 t -114.75 135.96 52.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 11.9 tp -86.75 128.17 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 162.19 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.33 24.83 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -112.67 107.02 55.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.643 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -93.73 -44.16 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.46 -26.92 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.99 -127.21 5.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.69 3.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.3 29.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 80.6 p -110.19 153.75 43.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.03 26.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.6 mt -77.71 126.45 30.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -46.01 157.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.0 t -120.81 146.4 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -123.79 117.96 26.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 42.5 m-70 -96.55 110.68 23.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.56 93.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -56.53 143.03 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.64 109.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 75' ' ' THR . 20.5 mtm -80.89 114.62 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.3 t -102.09 93.52 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 108.276 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.36 134.62 51.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.63 33.92 59.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.52 19.38 72.74 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 134.32 55.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' THR . 29.9 m-85 -100.74 136.04 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.6 OUTLIER -155.24 145.94 22.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.55 7.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.99 15.55 7.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.23 176.83 17.72 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.79 -47.0 70.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.97 143.86 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.49 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 11.9 p -133.03 -175.52 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CD2' HD12 ' A' ' 88' ' ' LEU . 19.5 m-85 -158.88 153.09 23.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.42 -36.45 13.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -121.62 145.93 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 m -64.19 -45.9 86.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -13.11 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.786 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -92.8 -50.17 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -67.01 -37.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.8 -7.28 49.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -90.25 -52.13 5.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 83.8 m-85 -81.1 -7.45 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.82 -17.44 64.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.78 -62.35 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 77.3 p -54.97 -58.7 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.79 -179.29 21.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 107' ' ' LEU . 7.5 mt -124.17 153.35 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -108.13 134.42 51.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -90.5 177.15 6.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.29 -12.28 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -89.31 16.57 7.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.24 17.12 71.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.93 154.16 22.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.5 153.9 22.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.526 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 93.0 t -129.97 149.74 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.76 148.6 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -99.82 83.27 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -67.11 -41.83 85.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -155.7 150.9 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 -170.45 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 55.3 t80 -124.73 147.78 48.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -120.01 148.58 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -121.03 108.22 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.45 80.07 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.44 31.35 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 p -116.85 96.49 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.6 p -45.55 147.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -176.41 106.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.958 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.67 85.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.21 132.92 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -114.66 66.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.428 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 0.5 OUTLIER 175.66 177.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.84 66.5 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -104.81 -18.09 14.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.1 t80 -60.49 103.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 75.5 m-70 -77.65 -2.64 36.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 92.9 -116.97 5.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -110.98 89.27 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.598 ' HE3' HD22 ' A' ' 21' ' ' LEU . 1.8 tpp -103.17 159.27 15.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.9 t -99.63 129.1 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -37.63 -63.91 0.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.33 -41.03 6.35 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -63.25 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -53.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.1 mt-10 -45.0 -49.88 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -71.24 -42.67 68.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.745 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -56.97 -50.7 71.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.67 ' HB3' HD13 ' A' ' 48' ' ' LEU . 23.3 mt -61.05 -41.72 97.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 85.0 mt-30 -65.54 -43.16 90.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.51 60.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -55.98 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.79 -9.01 78.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.723 ' O ' HD23 ' A' ' 48' ' ' LEU . 45.0 mt-10 -56.48 116.91 14.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.99 132.01 14.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.4 m95 74.01 42.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 11.7 m -107.54 118.95 38.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.82 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.9 p90 -107.44 165.66 11.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 ' O ' HD12 ' A' ' 32' ' ' LEU . 2.4 pp -164.07 141.55 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.5 t -96.66 131.01 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.795 ' NH2' HG11 ' A' ' 44' ' ' VAL . 31.0 ptt85 -145.44 141.11 28.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 3.6 mt-10 -75.16 147.55 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.02 136.75 35.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 12' ' ' HIS . 86.9 mt -84.68 -51.85 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 p -64.12 -22.5 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.19 98.57 32.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 105.91 2.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.51 -28.52 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.74 171.92 10.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -138.5 156.7 47.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.795 HG11 ' NH2' ' A' ' 34' ' ' ARG . 60.8 t -120.62 144.75 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 31' ' ' PHE . 5.6 tp -120.07 100.11 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.534 ' HG ' ' HD1' ' A' ' 64' ' ' HIS . 2.0 m -94.15 116.98 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.731 HG22 ' CB ' ' A' ' 31' ' ' PHE . 53.7 t -117.44 130.53 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.05 129.48 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 158.42 15.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.83 21.13 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -113.24 109.78 51.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.642 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.03 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -91.03 -44.75 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.35 -27.01 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.19 -125.86 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.85 -1.14 28.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.643 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.4 p -111.75 153.84 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 146.04 32.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.9 mt -82.0 126.3 31.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -44.63 150.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HG2' ' A' ' 19' ' ' GLU . 64.1 t -113.39 150.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 HD11 ' A' ' 65' ' ' ILE . 1.8 m -129.38 112.21 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.534 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 55.5 m-70 -98.29 118.87 35.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -107.93 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 145.96 41.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.0 122.97 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.422 ' HB2' HG23 ' A' ' 75' ' ' THR . 12.2 mtm -93.59 120.6 34.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.3 t -105.76 93.72 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -125.55 123.65 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.83 37.56 94.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.75 28.06 72.04 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -127.82 136.14 51.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 30.0 m-85 -102.73 138.67 39.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.5 t -155.64 149.03 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.9 m -94.47 7.14 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 22.65 5.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.97 176.98 16.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -38.5 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.27 146.52 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 ' HB ' ' A' ' 75' ' ' THR . 3.5 p -136.47 -178.9 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 88' ' ' LEU . 30.6 m-85 -154.71 156.49 36.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.33 -36.05 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -122.12 139.5 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.6 mm? -53.36 -25.94 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.6 m -67.96 -45.47 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -12.17 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.3 tt -92.86 -53.74 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 31' ' ' PHE . 43.3 t -62.9 -37.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.22 -6.54 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.2 -50.59 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.605 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 74.5 m-85 -80.98 -7.35 59.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -63.38 -13.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 -64.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.3 p -52.04 -27.52 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 -173.9 45.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 65' ' ' ILE . 8.6 mt -127.66 149.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -108.16 124.69 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.41 175.55 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.5 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.11 -19.21 23.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.31 146.09 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.17 163.1 13.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 45.8 t -133.67 165.07 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.478 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 53.3 m-85 -151.0 148.86 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -100.63 95.81 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -82.04 -33.01 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.32 150.22 7.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 112' ' ' TYR . 18.3 Cg_endo -74.99 156.31 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.638 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t80 -58.98 -40.59 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER 49.77 102.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.37 -44.08 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 144.5 131.43 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.97 28.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.09 124.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.6 p -178.32 -57.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.68 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 90.7 p -44.85 144.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.41 -112.98 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -53.21 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.48 ' CB ' ' CZ2' ' A' ' 8' ' ' TRP . 0.0 OUTLIER 175.86 -174.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.92 47.64 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.06 -25.16 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 75.7 t80 -55.08 101.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.446 ' CE1' ' HD2' ' A' ' 111' ' ' TYR . 64.3 m80 -74.28 -24.27 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.56 -131.96 10.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -88.87 80.2 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 tpp -101.57 150.14 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -88.16 126.44 35.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.41 -64.03 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.27 -35.97 2.79 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.761 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.4 -63.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -50.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.5 mt-10 -47.54 -53.05 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -68.12 -41.46 81.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.4 mp -58.17 -56.88 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 46' ' ' SER . 24.1 mt -53.69 -44.46 69.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -63.97 -49.5 72.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -39.42 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -53.06 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -8.09 78.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.746 ' O ' HD23 ' A' ' 48' ' ' LEU . 23.7 mt-10 -56.07 115.5 9.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 17.4 m95 79.73 48.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 28.8 m -117.37 117.15 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -106.36 167.53 9.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -165.41 140.17 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.0 t -97.32 132.52 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH2' HG11 ' A' ' 44' ' ' VAL . 28.7 ptt85 -146.44 164.89 31.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -88.92 139.73 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 127.62 32.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.23 -41.84 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -26.39 63.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -126.94 95.07 37.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.55 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.74 -25.15 5.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -171.34 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -144.32 154.4 43.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' NH2' ' A' ' 34' ' ' ARG . 39.5 t -117.54 145.33 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.1 tp -122.78 98.81 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.4 m -92.38 118.12 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.729 HG22 ' CB ' ' A' ' 31' ' ' PHE . 65.9 t -117.23 133.95 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.2 tp -85.37 131.29 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.8 160.74 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.16 21.16 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -109.07 108.82 60.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.624 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.96 173.68 14.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -94.93 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.22 -26.91 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.47 -125.35 5.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.64 3.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 2.29 32.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 59.8 p -113.65 151.72 44.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 Cg_endo -75.04 142.1 27.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.624 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.6 mt -76.42 127.12 32.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 165.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.4 t -126.21 149.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.4 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.3 m -127.12 118.09 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 65.7 m-70 -98.75 114.07 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -101.72 93.14 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.28 142.27 43.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.27 107.68 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.493 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 7.5 mtm -81.19 126.07 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -110.03 93.57 4.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.68 133.38 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.12 33.18 86.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.3 24.56 70.72 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -127.85 143.04 51.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' HB3' HD12 ' A' ' 88' ' ' LEU . 44.7 m-85 -104.68 140.15 38.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.1 t -155.74 151.5 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.493 ' C ' ' HE3' ' A' ' 68' ' ' MET . 15.1 m -94.02 7.14 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.05 5.97 16.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.8 174.77 21.92 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.0 -48.31 76.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.93 139.43 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.548 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.2 p -130.55 -176.18 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 17.8 m-85 -155.97 164.17 38.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -36.24 8.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -123.12 141.01 52.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -34.1 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -59.23 -47.78 84.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -17.7 64.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tt -85.27 -47.03 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 31' ' ' PHE . 21.6 t -71.55 -43.02 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.3 -6.54 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -88.89 -56.24 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.546 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -79.6 -7.41 58.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -62.16 -14.28 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -64.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 46.2 p -52.91 -35.94 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.07 173.28 47.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -111.0 150.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -107.36 130.93 54.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.71 -178.9 6.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.81 -2.2 56.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.36 -5.34 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -18.25 51.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.71 154.03 36.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -110.82 161.06 16.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.542 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 92.2 t -134.46 147.11 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -131.41 152.47 50.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.925 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.2 mp -101.64 99.33 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 13.2 mtp-105 -82.35 -38.22 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -162.02 147.49 10.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.01 176.92 9.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 65.8 t80 -113.52 149.38 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.491 ' N ' ' CD1' ' A' ' 112' ' ' TYR . 0.9 OUTLIER -121.62 164.66 16.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -145.15 120.46 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.39 141.46 15.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.55 23.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 m -111.76 113.76 26.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.2 p 178.48 145.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.49 -48.34 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -51.06 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.8 176.1 50.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -177.5 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 5.2 p -77.72 154.54 31.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.56 33.95 0.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.32 -25.94 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.44 106.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.804 ' CD2' HD13 ' A' ' 32' ' ' LEU . 89.8 m-70 -79.8 -30.24 40.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.637 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.33 -122.77 6.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.19 90.62 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.617 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.4 tpp -113.25 140.14 48.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' GLN . 9.1 m -83.7 125.92 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.66 -64.05 0.92 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.97 -32.36 4.66 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.734 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.33 -65.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.9 -52.07 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.5 mt-10 -47.79 -49.57 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -71.26 -41.32 70.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.98 -57.58 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 48' ' ' LEU . 26.3 mt -51.71 -39.3 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.47 -47.53 60.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.23 -38.44 5.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -54.9 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 -7.66 81.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD23 ' A' ' 48' ' ' LEU . 56.2 mt-10 -57.65 116.78 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.01 132.16 15.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.94 39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 18.2 m -105.04 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.777 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.9 p90 -107.3 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.71 139.48 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.565 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 10.9 t -96.11 132.84 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.677 ' NH2' HG11 ' A' ' 44' ' ' VAL . 22.3 ptt85 -145.24 148.69 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.76 137.51 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 126.68 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.61 -37.78 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -17.95 60.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -133.89 105.93 11.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -37.96 3.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -175.93 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -146.79 161.54 40.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.677 HG11 ' NH2' ' A' ' 34' ' ' ARG . 38.8 t -119.94 146.58 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.3 tp -127.35 96.8 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -90.11 122.3 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.777 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.2 t -120.61 135.79 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -87.22 130.86 34.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.71 163.16 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.29 22.83 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.89 113.16 39.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.0 168.45 24.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.772 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -96.9 -40.52 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -123.8 34.34 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.07 -134.69 34.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.34 20.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.64 -8.36 68.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.761 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.8 p -110.69 153.57 43.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.28 39.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 52' ' ' PRO . 52.6 mt -81.84 130.78 35.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -45.93 154.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.4 t -113.94 149.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -131.24 120.2 22.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.94 118.52 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' A' ' 97' ' ' ILE . 3.2 mp -99.47 92.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 145.45 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.31 121.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.573 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.4 mtm -93.95 119.77 33.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.5 p -96.64 97.1 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.368 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.54 122.42 37.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.93 96.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.11 13.54 62.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -115.78 138.64 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.0 m-85 -99.21 142.25 30.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.573 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -155.37 144.68 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 m -88.35 6.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.82 5.41 18.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.97 176.06 27.95 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -38.77 79.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.95 150.1 43.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 1.2 p -137.23 -174.6 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.845 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.2 m-85 -158.34 154.84 27.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.81 15.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 149.89 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.3 mm? -57.04 -30.65 64.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -61.19 -48.72 80.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -13.58 62.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.845 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -89.88 -50.89 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.7 t -65.15 -38.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.48 -9.18 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -87.97 -52.72 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -81.36 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.128 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -15.77 58.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 -63.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -53.12 -36.74 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.15 -172.7 54.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 65' ' ' ILE . 7.4 mt -127.82 152.83 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -110.76 124.09 51.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -75.63 172.51 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.32 -17.99 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.95 -14.89 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.28 -9.12 45.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.97 148.3 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -98.76 162.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 72.6 t -137.93 156.98 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -141.83 148.68 39.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.767 ' N ' HD12 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -100.69 88.66 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 15.8 mtp-105 -71.68 -55.7 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -140.66 147.52 49.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 21.1 t80 -101.07 123.89 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.81 98.36 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -90.77 166.01 13.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -118.88 -179.71 16.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 t -126.73 141.52 51.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.71 136.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -103.24 160.84 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -139.92 102.96 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.5 -94.1 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.47 128.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.513 ' CB ' ' NE1' ' A' ' 8' ' ' TRP . 1.3 m -55.32 -174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.71 69.91 0.41 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.85 -17.58 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.59 99.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 74.6 m-70 -69.89 -27.61 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.37 -135.81 13.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -82.86 91.74 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.3 ttm -111.82 148.21 34.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -85.66 124.77 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.15 -63.58 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.9 -38.12 10.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.71 -62.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -51.76 -47.65 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -71.2 -37.72 72.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.0 mp -63.09 -56.6 15.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.665 ' O ' HD22 ' A' ' 48' ' ' LEU . 28.3 mt -55.99 -39.25 71.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 86.3 mt-30 -69.32 -51.59 35.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.7 -34.06 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -76.73 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.46 46.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 48' ' ' LEU . 33.8 mt-10 -48.61 113.27 2.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.24 23.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.5 m95 71.63 41.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 79.8 m -110.21 116.57 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -106.71 166.64 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.768 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.95 140.62 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG21 ' CE3' ' A' ' 8' ' ' TRP . 10.8 t -96.8 132.74 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.514 HH21 HG11 ' A' ' 44' ' ' VAL . 50.1 ptt85 -145.94 146.79 31.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 140.13 45.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.24 143.08 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -94.28 -51.11 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -64.9 -25.03 67.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -120.43 103.15 44.62 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.22 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.38 -26.31 8.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.31 164.26 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -127.67 157.77 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.514 HG11 HH21 ' A' ' 34' ' ' ARG . 37.3 t -118.75 146.48 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.2 tp -124.56 101.93 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.8 m -94.37 122.07 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -122.8 132.83 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 22' ' ' LEU . 15.2 tp -86.86 116.86 25.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.72 161.21 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.54 24.87 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -114.4 111.77 46.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.565 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 174.81 12.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -95.14 -44.26 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.93 -26.88 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.41 -131.21 6.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.51 2.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.06 -4.54 11.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.493 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 87.9 p -113.14 153.61 45.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.1 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 52' ' ' PRO . 66.2 mt -75.12 128.57 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 19' ' ' GLU . 96.6 t -128.05 146.49 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -125.82 118.24 25.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -99.65 108.84 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 97' ' ' ILE . 2.7 mp -94.43 95.17 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -61.59 131.3 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.32 124.81 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.489 ' HB2' HG23 ' A' ' 75' ' ' THR . 15.2 mtm -97.95 112.56 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 52.3 t -100.06 94.19 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 108.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.3 138.14 52.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.8 35.21 66.93 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.79 28.73 73.75 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -133.52 138.6 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 85' ' ' LEU . 63.6 m-85 -102.42 140.35 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.7 OUTLIER -155.58 144.58 20.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' HB ' HG23 ' A' ' 65' ' ' ILE . 2.6 m -90.58 7.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 7.23 14.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.02 176.74 27.23 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -41.69 74.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.91 150.67 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.46 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.6 p -138.79 -177.4 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' C ' ' A' ' 81' ' ' THR . 25.3 m-85 -157.59 163.54 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -98.9 -36.09 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 p -119.74 146.81 45.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.4 mm? -57.96 -37.43 74.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.453 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 86.6 m -58.37 -45.65 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -21.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -81.74 -48.32 11.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.5 t -68.45 -42.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.29 -12.74 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -85.71 -54.34 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -79.04 -7.32 58.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -64.53 -13.3 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.3 p -51.89 -62.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 105' ' ' VAL . . . 110.75 168.69 19.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 65' ' ' ILE . 5.6 mt -109.97 136.72 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -86.1 135.5 33.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -94.65 -176.2 3.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.19 -6.14 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 14.11 29.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.68 70.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.86 148.56 32.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.32 159.54 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 95.9 t -127.19 148.33 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -123.76 143.23 50.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.8 mp -98.71 82.67 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.6 mtp-105 -61.12 -63.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -136.95 147.04 57.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.95 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.6 t80 -99.82 133.07 44.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -120.65 110.28 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.8 p -87.92 -57.04 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 161.75 -171.12 37.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 128.96 11.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -125.52 119.53 28.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -150.93 125.23 9.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -149.47 124.57 10.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -152.62 162.61 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.23 87.97 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.94 -62.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.963 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -138.29 150.81 47.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.02 36.92 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.631 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.57 -42.71 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -51.36 106.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 87.8 m-70 -86.1 -29.93 22.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.12 -111.48 3.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 91.33 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.9 ttm -116.28 155.67 27.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.58 127.26 49.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.4 -63.18 1.42 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.4 -40.95 6.41 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.774 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.07 -63.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.13 -51.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -49.52 -50.08 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -68.99 -38.22 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.5 mp -64.17 -61.6 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 46' ' ' SER . 40.3 mt -48.79 -42.79 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.5 mt-30 -69.08 -48.9 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.8 -34.83 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 103.65 -32.31 7.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.5 mt-10 -38.01 113.69 0.71 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.98 138.91 23.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.8 m95 74.41 47.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.3 m -115.41 115.53 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.907 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.9 p90 -107.32 166.0 10.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -164.11 136.57 4.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.631 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.3 t -96.96 139.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -145.74 159.7 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.48 135.96 34.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 80.2 p -70.85 126.42 29.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -94.25 -42.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -87.53 -25.24 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -93.39 137.36 23.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 122.82 7.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.89 59.34 1.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.535 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -138.08 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 13.5 m-85 -144.89 157.53 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.0 t -122.77 142.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.5 tp -117.05 99.36 7.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.602 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.4 t -91.41 110.49 21.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 31' ' ' PHE . 92.5 t -112.98 126.51 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.6 tp -77.89 124.47 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -88.38 165.97 14.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -97.47 14.65 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -104.96 111.81 65.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.611 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.05 171.62 17.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -91.45 -44.53 9.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.92 -26.98 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.04 -129.71 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.72 -5.45 22.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 54.1 p -110.86 153.5 43.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.9 mt -76.53 127.31 32.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -45.2 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.0 t -120.29 153.12 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -128.86 113.62 15.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -93.38 101.91 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.4 mp -91.87 96.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 133.72 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.15 126.57 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 mtm -93.37 110.95 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 19.7 t -99.7 93.27 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.56 142.82 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.61 31.44 52.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.44 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -121.57 148.88 43.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 69.9 m-85 -111.44 139.74 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.6 t -155.92 150.06 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 m -93.4 6.54 6.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 24.77 4.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.11 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.78 71.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.75 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -134.11 -174.55 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 81' ' ' THR . 16.1 m-85 -159.24 158.48 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -94.37 -36.43 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 p -125.17 146.44 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.72 -32.79 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 m -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -17.9 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.583 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.6 tt -85.48 -48.74 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -68.64 -54.65 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.14 -18.11 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 10.9 t-80 -79.3 -61.29 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.5 m-85 -72.71 -6.6 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.67 -15.46 62.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 2.0 pttt -115.0 -62.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 43.6 p -52.3 -57.24 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 172.75 26.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.526 HD13 HD13 ' A' ' 65' ' ' ILE . 7.2 mt -111.41 155.35 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.8 tt0 -115.06 130.02 56.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -83.43 173.12 11.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.0 -27.34 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t -69.32 -13.33 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.72 -21.96 29.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.98 154.64 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.3 m-85 -111.78 150.66 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.599 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 88.7 t -122.51 147.02 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -130.87 154.42 48.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.907 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -102.08 95.76 6.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 13.2 mtp180 -76.34 -50.35 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -146.77 141.23 15.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.93 160.7 40.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.6 t80 -91.97 111.91 23.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -80.62 -59.19 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 t 65.66 99.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -150.13 118.52 0.94 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.0 33.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.06 137.37 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 m -169.15 115.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.953 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -159.65 158.78 32.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.021 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -154.37 73.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.76 -177.48 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 86' ' ' THR . 63.2 p -91.62 103.39 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB3' ' NE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER 55.88 -172.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.0 68.59 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.75 -11.0 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 78.5 t80 -67.48 100.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -74.31 -24.28 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.13 -137.24 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -81.64 102.82 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.432 ' CE ' HD22 ' A' ' 21' ' ' LEU . 39.1 ttm -121.67 143.23 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -83.48 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.24 -59.84 2.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.54 26.78 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.97 -63.43 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.7 -48.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.01 -48.85 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -69.29 -39.53 78.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -60.6 -57.34 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' A' ' 48' ' ' LEU . 41.7 mt -53.71 -39.59 65.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.8 mt-30 -69.59 -42.86 73.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.34 -35.39 38.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HE2' ' CE1' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -77.44 -62.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.98 -14.95 62.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -55.56 119.4 24.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.01 132.88 15.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.503 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.2 m95 75.09 46.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 27' ' ' GLU . 11.6 m -111.26 116.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -106.71 166.14 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.35 144.52 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' CE3' ' A' ' 8' ' ' TRP . 4.9 t -102.07 128.66 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.848 HH21 HG11 ' A' ' 44' ' ' VAL . 3.4 ptt180 -145.9 147.78 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -72.95 146.5 46.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.03 135.34 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.75 -45.36 11.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -29.2 70.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -128.3 106.42 19.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.54 -40.31 2.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.39 171.78 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.763 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -135.6 160.15 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.848 HG11 HH21 ' A' ' 34' ' ' ARG . 98.9 t -123.52 146.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -122.22 96.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.2 t -89.77 120.21 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' CB ' ' A' ' 31' ' ' PHE . 79.7 t -117.72 136.47 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -86.67 126.5 34.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 159.68 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.24 22.66 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -115.25 111.43 44.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.04 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -96.96 -43.16 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.68 -27.31 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.52 -123.3 5.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.38 4.57 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.5 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.749 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 78.2 p -112.0 153.14 44.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.0 144.16 29.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.2 mt -81.66 125.92 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.13 155.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.499 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.6 t -118.77 149.03 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.19 111.93 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.9 111.07 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -98.8 93.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -57.59 154.59 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 t -127.46 126.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 mtm -96.48 111.76 23.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 38.1 t -98.97 93.83 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -128.14 141.47 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.14 43.23 50.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.89 62.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -133.08 143.05 49.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -110.56 139.96 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.4 t -155.69 151.16 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.77 7.15 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 10.79 10.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.07 173.34 20.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -48.5 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.57 148.66 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.7 p -138.49 -178.87 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CG ' ' C ' ' A' ' 81' ' ' THR . 29.9 m-85 -155.46 161.61 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.53 -40.02 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -116.86 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -50.03 -35.24 24.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 HG21 ' HB2' ' A' ' 5' ' ' SER . 7.0 m -58.63 -53.02 63.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -17.55 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 74' ' ' TYR . 8.1 tt -87.44 -54.16 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.673 HG11 ' CE2' ' A' ' 31' ' ' PHE . 5.3 t -64.35 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.35 -15.37 60.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -83.44 -57.35 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.437 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 91.3 m-85 -75.4 -6.86 52.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -68.15 -10.93 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 58.9 p -54.18 -51.7 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.7 -174.58 23.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 65' ' ' ILE . 10.7 mt -126.26 151.62 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -111.31 121.32 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.88 -173.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.03 -22.54 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 m -72.94 -21.74 60.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.52 6.73 21.35 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.161 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.02 151.91 21.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.86 159.15 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.503 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.5 t -132.4 158.86 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -142.57 151.61 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.794 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -105.29 94.4 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -44.81 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -148.58 145.88 21.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -74.98 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 30.5 t80 -105.32 128.72 53.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -119.5 106.33 12.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -97.48 168.35 10.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.62 146.83 7.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.63 30.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -124.02 132.85 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -171.39 145.67 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -117.84 119.6 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -100.01 -61.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.25 -131.69 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.5 90.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CZ2' ' A' ' 8' ' ' TRP . 1.9 p -95.9 -175.92 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.14 41.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.497 ' CZ2' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -112.76 -4.07 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.86 100.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.6 m-70 -69.45 -33.91 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.24 -119.64 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -96.52 83.96 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.99 140.25 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -79.41 129.05 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.22 -62.3 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.0 6.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -66.09 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.53 -55.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.47 -48.19 26.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -70.69 -40.14 73.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.5 mp -60.33 -59.58 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 mt -51.19 -40.46 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.28 -49.73 58.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.29 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 102.31 -32.93 6.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 30' ' ' THR . 93.0 mt-10 -38.05 115.67 0.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.92 23.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 18.3 m95 72.84 50.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 6.4 m -118.3 119.35 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.787 ' CB ' HG22 ' A' ' 47' ' ' VAL . 4.8 p90 -106.76 170.48 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.7 pp -167.18 136.73 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.0 t -96.49 124.63 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.853 HH21 HG11 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.66 142.17 27.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 150.36 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.7 130.42 34.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -77.55 -35.85 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.57 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -112.27 97.43 39.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -26.5 7.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -94.84 176.78 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.93 160.56 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.853 HG11 HH21 ' A' ' 34' ' ' ARG . 52.6 t -122.97 147.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.6 tp -123.71 93.95 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.9 m -88.39 119.39 28.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.787 HG22 ' CB ' ' A' ' 31' ' ' PHE . 48.8 t -120.62 133.78 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.1 tp -84.33 126.03 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.12 159.08 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' CG ' ' CZ2' ' A' ' 29' ' ' TRP . 4.8 p-10 -91.03 25.84 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -118.08 113.16 37.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.626 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -91.64 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.44 -27.13 7.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.68 -127.36 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.01 5.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.25 -1.07 46.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.4 p -110.35 153.67 43.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 141.45 26.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.626 HD23 ' CA ' ' A' ' 52' ' ' PRO . 90.8 mt -77.72 125.8 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -44.08 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 48' ' ' LEU . 84.2 t -120.49 150.6 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -127.16 114.01 17.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 43.7 m-70 -99.38 111.28 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -99.44 93.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -53.35 147.99 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.3 t -127.57 110.93 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 mtm -88.59 123.37 33.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 24.4 t -102.36 95.94 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -122.35 133.41 54.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.83 23.86 61.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 -11.25 61.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -92.49 155.97 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 69' ' ' CYS . 74.9 m-85 -116.38 145.09 43.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.02 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.93 7.16 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 17.68 6.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.09 174.2 15.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.14 133.1 54.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 3.1 p -127.52 176.82 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -149.55 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.56 -43.9 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -125.47 153.25 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.72 -30.81 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -60.37 -44.23 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -18.05 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.6 tt -83.53 -49.16 9.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 31' ' ' PHE . 13.9 t -69.32 -37.98 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.29 -6.72 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -89.12 -52.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.648 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -81.6 -7.51 59.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -65.49 -12.65 54.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -64.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.9 p -52.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.25 174.46 18.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 65' ' ' ILE . 5.5 mt -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.04 130.56 36.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.11 161.55 21.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.38 -15.73 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -81.82 -18.94 42.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.45 29.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.45 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.27 153.63 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.514 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 98.1 t -129.34 148.63 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -132.24 151.95 51.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -101.53 84.39 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -26.53 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -178.15 160.16 1.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 18.5 Cg_endo -75.02 169.3 22.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.3 t80 -78.29 -14.66 59.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 12.7 m-85 37.28 89.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.2 p -51.29 -40.05 58.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.31 -141.12 16.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.7 5.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 144.28 28.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t 40.68 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -100.4 163.88 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -160.07 113.68 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.69 126.88 5.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -128.12 93.64 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p 46.78 85.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.949 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.84 61.42 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.633 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -149.51 -46.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 32.7 t80 -49.94 102.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.7 m-70 -83.43 -26.33 30.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.627 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.13 -113.69 4.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 92.87 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.569 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' SER . 13.1 tpp -120.75 147.94 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 13.5 t -80.72 142.12 34.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -56.27 -64.3 4.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.73 -29.91 2.11 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.766 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -70.64 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' ' NH1' ' A' ' 34' ' ' ARG . . . -38.13 -49.17 1.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -52.42 -48.92 65.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -68.93 -43.57 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.8 mp -57.21 -56.39 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 46' ' ' SER . 36.8 mt -53.1 -48.27 67.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.11 -50.44 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.66 -39.99 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -53.0 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.39 -25.18 21.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.829 ' O ' HD23 ' A' ' 48' ' ' LEU . 99.1 mt-10 -38.42 112.42 0.67 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 128.58 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.8 m95 79.37 56.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 75.9 m -125.62 118.61 26.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.824 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -107.06 165.97 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.753 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -165.06 134.65 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.633 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.7 t -96.57 129.27 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 3.5 ptt-85 -146.62 136.65 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.68 129.27 40.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 133.88 54.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -35.49 17.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 m -74.43 -32.17 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.11 100.45 33.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -24.67 8.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.99 -176.79 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -144.29 155.33 43.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.23 145.2 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -114.67 109.65 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.82 108.41 19.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 31' ' ' PHE . 99.4 t -110.56 135.11 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.1 tp -85.94 126.7 34.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 160.12 14.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.62 22.7 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -111.19 109.3 56.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.01 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -92.42 -45.13 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.18 -26.7 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.52 -126.5 4.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 124.93 8.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.44 -0.57 63.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.6 p -108.12 153.98 41.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.39 27.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 61.0 mt -80.74 126.43 31.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -45.52 164.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.2 t -129.52 147.23 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.55 130.44 53.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.29 109.17 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -97.84 93.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -54.9 134.7 48.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.93 104.61 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.544 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -72.3 118.24 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.2 t -107.06 93.84 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.58 141.23 51.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.84 37.22 51.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.63 71.41 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 34.0 m-85 -101.8 139.86 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -154.75 143.66 20.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.62 7.0 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 4.23 19.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.0 176.34 21.93 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 mm? -62.26 -56.85 14.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.98 144.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -137.65 -172.87 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.528 ' CG ' ' C ' ' A' ' 81' ' ' THR . 11.7 m-85 -160.42 170.6 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.73 -37.26 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -125.39 150.7 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.8 mm? -59.18 -32.92 70.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.2 m -60.66 -45.78 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.414 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -16.79 63.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.578 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.0 tt -89.36 -50.12 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -64.63 -42.33 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.43 -6.87 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -93.16 -49.69 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -83.28 -6.91 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.94 -8.34 36.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -62.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 95' ' ' THR . 49.3 p -51.7 -45.8 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.24 -176.29 32.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 65' ' ' ILE . 12.2 mt -128.15 150.25 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 22.7 tt0 -112.83 132.3 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.17 169.2 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 -17.39 50.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -18.44 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.97 -23.09 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.77 152.5 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.5 m-85 -109.48 147.83 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 60.4 t -119.25 162.45 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.442 ' N ' HG12 ' A' ' 105' ' ' VAL . 29.5 m-85 -147.27 148.96 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.824 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -98.74 95.82 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -50.11 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -145.87 141.48 16.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 166.41 29.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.9 t80 -96.74 105.16 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -73.71 -47.14 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t 60.03 155.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.056 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.62 -142.02 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -51.25 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.97 135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.25 108.88 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.063 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 t -108.06 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t 55.95 98.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.13 159.75 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -164.25 156.21 16.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -110.26 113.12 25.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 112' ' ' TYR . . . -131.4 77.52 0.39 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -143.88 -47.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 43.2 t80 -50.68 101.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.609 ' CD2' HD13 ' A' ' 32' ' ' LEU . 87.2 m-70 -80.84 -33.29 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.16 -109.3 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.547 ' CE1' HD21 ' A' ' 37' ' ' LEU . 2.5 t-80 -97.83 92.38 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.0 ttm -119.02 155.55 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -100.69 125.56 47.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -37.53 -64.03 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.53 -35.68 5.64 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.752 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.54 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.723 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.22 -52.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -47.38 -49.57 24.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.82 -40.63 72.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -59.73 -56.92 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.695 ' HB3' HD13 ' A' ' 48' ' ' LEU . 31.2 mt -52.43 -39.55 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -71.11 -43.46 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.25 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -55.72 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 95.41 -29.25 9.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 48' ' ' LEU . 55.8 mt-10 -38.33 115.85 0.87 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.0 136.96 21.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.84 50.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 111' ' ' TYR . 9.7 m -118.35 117.69 29.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -107.52 168.18 9.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -165.94 136.0 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.665 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.8 t -96.7 134.48 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.533 HH21 HG11 ' A' ' 44' ' ' VAL . 36.8 ptt85 -146.59 142.65 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 tt0 -67.15 137.64 56.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 136.81 49.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD21 ' CE1' ' A' ' 12' ' ' HIS . 83.4 mt -96.08 -22.89 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.92 -26.83 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -137.35 120.81 11.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 110.9 3.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.89 -41.37 1.81 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' CG ' ' SG ' ' A' ' 69' ' ' CYS . 1.0 OUTLIER -71.85 169.97 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 59.8 m-85 -140.82 159.85 41.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG11 HH21 ' A' ' 34' ' ' ARG . 60.8 t -119.52 140.97 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -116.6 102.54 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.1 m -96.3 110.98 23.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.721 HG22 ' CB ' ' A' ' 31' ' ' PHE . 71.4 t -113.86 129.25 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.4 tp -81.2 123.43 28.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -89.06 160.55 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -92.55 24.12 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -114.2 110.13 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.63 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.07 173.39 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -94.03 -43.98 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.22 -27.04 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.38 -126.26 5.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.43 1.63 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.5 p -113.89 153.85 46.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.28 32.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' CA ' ' A' ' 52' ' ' PRO . 88.3 mt -81.82 127.08 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.84 149.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.424 HG21 ' HA ' ' A' ' 19' ' ' GLU . 87.4 t -111.83 151.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -128.56 119.02 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 63.5 m-70 -100.82 106.66 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.03 98.72 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -61.37 133.72 56.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.77 111.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.2 mpp? -75.57 106.42 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.405 ' SG ' ' CG ' ' A' ' 42' ' ' ASP . 14.3 p -94.13 93.07 7.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.48 137.49 53.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.27 52.45 32.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.21 28.26 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -132.5 148.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -108.96 142.66 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.81 150.43 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.03 6.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' HE2' ' A' ' 68' ' ' MET . . . 114.4 18.09 6.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.96 176.83 16.71 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.72 -32.47 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.82 136.28 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.8 p -128.68 -178.23 4.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.804 ' CD2' HD12 ' A' ' 88' ' ' LEU . 24.3 m-85 -155.2 165.13 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.41 -41.23 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 p -124.53 153.43 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.37 -31.93 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -59.7 -53.54 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.34 -15.62 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.804 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.6 tt -91.14 -53.55 4.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 31' ' ' PHE . 11.1 t -62.15 -45.38 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.97 -7.76 38.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -93.86 -52.03 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.406 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 61.3 m-85 -80.56 -7.18 59.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -63.77 -12.96 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -63.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 45.6 p -53.05 -23.37 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 -174.12 40.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 65' ' ' ILE . 15.5 mt -124.22 149.99 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 tt0 -108.95 124.29 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -77.8 178.78 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.46 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -13.39 62.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.14 22.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.71 152.32 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.2 m-85 -108.6 151.45 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG1' HG11 ' A' ' 47' ' ' VAL . 45.0 t -120.55 165.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.482 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 54.9 m-85 -149.11 142.45 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.872 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -93.08 87.19 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -70.87 -57.85 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -139.04 141.19 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.04 156.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 72.4 t80 -100.51 131.51 46.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.501 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.1 m-85 -107.68 172.9 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 p -126.42 118.83 25.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.11 133.49 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -154.41 116.61 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.54 86.2 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.507 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 55.3 t80 -54.92 106.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CD2' HD13 ' A' ' 32' ' ' LEU . 93.0 m-70 -90.9 15.88 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 82.24 -94.6 1.7 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.9 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.859 ' HE3' HD22 ' A' ' 21' ' ' LEU . 2.5 tpp -90.29 158.31 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.67 130.13 44.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.67 -63.86 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.34 -42.1 25.09 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.769 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.84 -52.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -46.72 -49.96 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -69.51 -43.6 72.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.859 HD22 ' HE3' ' A' ' 13' ' ' MET . 2.5 mp -57.8 -56.15 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 46' ' ' SER . 23.5 mt -55.71 -43.91 76.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.07 -43.73 94.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.44 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -52.12 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.56 62.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.778 ' O ' HD23 ' A' ' 48' ' ' LEU . 68.2 mt-10 -50.31 114.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.4 m95 74.8 52.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.0 m -121.89 119.2 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.743 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -107.42 167.25 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -165.79 141.52 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.9 t -96.68 132.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -146.33 134.39 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 15.6 mt-10 -66.25 133.73 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.69 107.21 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.4 -38.22 90.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -31.74 62.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.7 95.97 45.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.44 5.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.48 -31.45 6.17 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.12 -173.46 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 64.5 m-85 -149.9 163.89 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' NH2' ' A' ' 34' ' ' ARG . 99.1 t -125.97 143.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.6 tp -119.61 99.91 6.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -91.07 121.03 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.724 HG22 ' CB ' ' A' ' 31' ' ' PHE . 77.2 t -119.21 134.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.4 tp -84.61 126.03 32.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.06 158.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.45 23.08 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -111.6 109.99 55.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.628 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.95 173.1 15.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -93.5 -44.24 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.36 -26.81 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.67 -126.76 5.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.63 4.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.91 -1.97 38.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.2 p -109.48 152.95 43.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.85 28.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.628 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.0 mt -78.7 126.61 30.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.01 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.7 t -130.06 147.79 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -124.77 117.56 24.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 92.1 m-70 -94.48 109.3 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.98 92.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -55.96 151.93 10.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.8 t -121.16 114.54 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.505 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.9 mtm -87.1 103.91 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 p -88.02 93.97 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.44 140.28 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.95 47.25 66.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.45 24.6 24.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -132.13 150.93 52.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 35.1 m-85 -108.19 143.95 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.1 t -155.75 147.98 23.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.448 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.8 m -92.78 7.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.19 -0.02 20.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.12 176.16 38.71 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -29.75 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.76 144.9 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.4 p -132.92 -174.99 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 88' ' ' LEU . 23.9 m-85 -160.97 165.02 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.07 -41.02 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -124.67 148.39 48.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.6 mm? -55.7 -25.16 38.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -65.22 -51.88 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -65.41 -13.09 57.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tt -93.38 -54.91 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -60.3 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.4 -19.41 55.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -82.21 -54.82 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.1 m-85 -76.26 -7.27 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -64.68 -16.81 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -62.68 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 44.5 p -53.26 -23.96 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.31 -171.03 44.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.0 mt -129.33 155.5 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.749 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -116.43 129.89 56.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.96 -173.9 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.91 -24.99 16.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -7.2 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.64 59.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.63 152.78 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.36 156.65 18.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 96.6 t -130.63 154.48 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.93 141.47 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -91.67 79.71 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -57.48 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -142.35 145.27 34.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 32' ' ' LEU . 25.5 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.607 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.402 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.1 t80 -51.07 101.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 95.3 m-70 -90.17 -14.29 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.72 -122.24 7.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.163 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -101.14 81.64 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.414 ' HE3' HD22 ' A' ' 21' ' ' LEU . 6.9 tpp -97.42 148.26 23.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.941 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.69 -64.13 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.24 -35.7 14.91 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.77 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -61.12 -61.65 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -39.09 -55.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.6 mt-10 -44.36 -48.88 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -71.47 -41.44 69.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -58.93 -54.1 50.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.677 ' HB3' HD13 ' A' ' 48' ' ' LEU . 18.6 mt -57.11 -43.4 82.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.92 -49.33 70.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.07 -36.66 5.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -62.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 100.8 -29.56 12.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 63.3 mt-10 -38.42 114.22 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 136.19 20.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.673 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 22.9 m95 74.1 52.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.7 m -122.0 120.58 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.836 ' CG ' HD23 ' A' ' 107' ' ' LEU . 4.4 p90 -107.75 166.55 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.1 pp -166.74 140.99 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.598 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 15.8 t -96.38 132.66 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -146.09 135.02 22.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 137.24 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 114.47 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.36 -44.25 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -33.04 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 96.2 48.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.12 -34.37 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -94.83 -176.95 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -142.72 153.12 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.445 HG21 ' NH2' ' A' ' 34' ' ' ARG . 47.2 t -114.14 145.04 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.4 tp -121.06 95.8 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -89.14 115.0 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.812 HG22 ' CB ' ' A' ' 31' ' ' PHE . 38.1 t -115.76 137.6 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.8 tp -86.11 135.4 33.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 p -100.92 161.45 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -91.12 18.07 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -108.93 106.28 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.636 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 168.12 25.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -85.65 -45.93 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.74 -27.27 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.14 -73.22 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.24 12.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.28 38.88 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 52' ' ' PRO . 48.9 p -108.74 148.46 37.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.9 17.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.572 1.827 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CA ' ' A' ' 52' ' ' PRO . 76.2 mt -77.35 125.39 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -46.8 148.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 19' ' ' GLU . 99.7 t -111.61 149.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -124.28 111.68 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 72.6 m-70 -91.73 104.02 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.74 93.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -58.03 145.88 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.59 103.61 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.9 122.85 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 t -109.29 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -128.69 143.05 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.24 36.74 53.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.19 24.83 67.62 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -125.47 142.86 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -108.82 139.82 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 t -156.23 151.48 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.86 6.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.45 2.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.42 177.06 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.7 -47.63 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.02 147.61 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.44 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 6.8 p -139.95 -179.12 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.0 m-85 -155.57 170.74 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -108.09 -38.51 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 m -118.34 143.85 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -40.95 73.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 m -56.43 -44.95 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.25 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.5 tt -86.38 -46.65 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -68.22 -42.98 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.37 -6.21 41.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -92.16 -48.13 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 43.7 m-85 -84.31 -7.19 59.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -67.26 -11.4 57.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -62.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 95' ' ' THR . 50.9 p -52.14 -46.47 65.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.07 174.7 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 65' ' ' ILE . 8.4 mt -114.06 143.78 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 21.2 tt0 -106.11 117.96 35.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -174.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -102.73 5.35 38.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -102.38 -4.31 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.33 -20.83 43.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.75 155.07 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.2 m-85 -112.13 149.03 32.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.673 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 37.3 t -118.62 147.56 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -131.43 145.78 51.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.5 mp -94.94 64.79 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -47.17 -34.14 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -169.42 160.13 7.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.94 178.34 7.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 6.6 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.495 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -54.93 103.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.78 ' CD2' HD13 ' A' ' 32' ' ' LEU . 92.4 m-70 -83.96 -33.97 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.44 -141.1 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.654 ' CD2' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.28 91.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.3 tpp -111.36 154.57 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLN . 3.3 m -99.12 124.57 44.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.07 -64.4 0.8 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.71 -34.53 7.02 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.74 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.8 -65.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.92 -56.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.0 mt-10 -44.72 -48.07 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -72.38 -42.35 65.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.74 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.44 -55.95 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 48' ' ' LEU . 27.0 mt -54.84 -38.63 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -69.55 -37.41 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.79 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -56.07 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -11.24 72.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.8 mp0 -56.4 119.54 29.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.05 134.31 17.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.9 m95 74.04 42.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 24.8 m -106.34 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.822 ' CE2' HG11 ' A' ' 89' ' ' VAL . 8.3 p90 -107.04 167.34 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.5 pp -166.54 136.03 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.2 t -97.1 134.13 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -146.05 160.27 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -80.56 130.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.18 138.88 47.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 12' ' ' HIS . 85.3 mt -95.73 -43.93 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -5.65 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -144.14 107.0 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 118.63 -40.9 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.85 177.65 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 81.7 m-85 -143.57 162.05 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.52 143.41 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 HD21 ' A' ' 107' ' ' LEU . 46.2 tp -121.6 92.32 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -82.82 117.6 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 31' ' ' PHE . 54.1 t -118.52 132.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.87 131.65 35.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 p -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.81 16.69 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -108.56 107.64 60.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.632 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.94 173.46 14.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 61' ' ' ARG . 15.6 mtpt -89.93 -45.64 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -117.07 -27.16 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.79 -122.89 4.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.48 6.44 41.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 95.9 p -114.39 153.67 46.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 ' CA ' ' A' ' 52' ' ' PRO . 46.5 mt -79.38 122.79 26.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -40.87 150.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 19' ' ' GLU . 93.7 t -114.3 145.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -125.95 119.26 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 45.0 m-70 -100.58 110.93 23.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 92.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.3 150.26 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.1 t -121.32 133.74 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.461 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 16.3 mtm -102.56 111.67 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.6 p -95.84 93.3 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.31 129.17 51.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.4 38.03 56.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.5 21.17 70.45 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 130.71 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' A' ' 85' ' ' LEU . 22.9 m-85 -96.9 137.16 36.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.431 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.5 151.06 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.6 m -94.43 7.23 6.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.403 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.21 12.4 9.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.88 177.08 19.11 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -66.04 -53.18 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.56 143.6 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 2.6 p -132.84 -174.46 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.917 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.6 m-85 -157.79 144.12 17.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.88 -31.61 35.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -133.59 159.93 38.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.6 mm? -64.16 -25.95 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.7 m -65.3 -51.21 62.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -12.5 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.917 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.5 tt -91.77 -51.02 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.2 t -65.01 -52.36 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.36 -13.01 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -86.1 -50.99 6.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -83.8 -6.49 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.485 ' CD ' HG12 ' A' ' 89' ' ' VAL . 1.2 mtpp -67.68 -8.74 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -62.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 44.3 p -50.98 -51.98 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 175.56 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -119.49 154.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.766 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -117.5 120.84 39.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.77 -174.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.13 -18.02 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -77.61 -1.59 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.09 14.96 58.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.49 154.68 21.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.71 147.57 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.5 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t -122.61 159.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -142.77 150.44 40.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.699 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -99.92 94.62 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 40.0 mtp180 -76.37 -57.59 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -140.71 143.49 32.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.01 168.43 24.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 31.8 t80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -51.24 101.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.3 m-70 -81.12 -23.93 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.76 -113.98 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.32 92.28 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.736 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 45.7 ttm -115.44 141.39 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 128.24 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.02 -64.15 2.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.45 -36.02 22.78 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.764 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.01 -59.62 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.63 -48.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -49.99 -52.12 36.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 m -67.97 -41.27 82.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -59.29 -56.68 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.7 mt -56.05 -42.71 77.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.7 mt-30 -65.6 -41.21 93.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.12 -36.06 60.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -53.67 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.73 -32.93 5.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 48' ' ' LEU . 73.7 mt-10 -38.49 114.94 0.84 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 139.95 24.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m95 73.7 46.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 27.9 m -114.1 116.98 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.855 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.7 p90 -107.31 165.79 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.62 138.69 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 7.8 t -96.88 134.73 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -146.22 145.45 30.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.91 125.53 29.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 135.75 57.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.76 -41.32 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -74.38 -23.23 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -125.81 101.95 29.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.53 -32.14 3.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -87.8 175.06 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 13.1 m-85 -139.28 158.81 43.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.4 t -122.95 142.56 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.9 tp -119.43 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -90.14 113.6 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.75 HG22 ' CB ' ' A' ' 31' ' ' PHE . 62.9 t -114.03 125.99 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.6 tp -76.42 122.94 25.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.95 165.53 13.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -96.33 24.72 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.67 109.64 55.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.598 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.06 169.49 22.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -89.39 -44.75 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.02 -27.06 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.93 -125.39 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.82 5.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.34 4.14 55.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 66.4 p -113.47 153.1 45.77 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -75.03 139.88 24.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.5 mt -77.88 125.89 30.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -45.2 160.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.9 t -121.15 147.14 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -120.41 111.3 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -92.87 105.9 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.6 mp -96.99 98.7 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -62.19 140.14 58.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.1 t -112.55 105.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.454 ' HB2' HG23 ' A' ' 75' ' ' THR . 19.6 mtm -74.52 122.95 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 t -109.22 93.53 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.05 143.86 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.91 32.34 26.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.16 24.53 74.7 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -125.13 142.35 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -103.85 138.35 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.3 t -156.04 147.22 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.66 6.62 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.01 23.66 4.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.72 176.83 16.44 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 150.44 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.3 p -141.13 -179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CG ' ' C ' ' A' ' 81' ' ' THR . 30.8 m-85 -154.71 164.89 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -41.15 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 m -124.11 144.66 49.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.22 -29.1 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -62.08 -52.84 62.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -16.33 61.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.8 tt -88.03 -49.8 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 31' ' ' PHE . 42.0 t -67.36 -38.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.29 -6.35 42.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -91.97 -54.48 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.569 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 81.3 m-85 -79.2 -7.0 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.45 ' CD ' HG12 ' A' ' 89' ' ' VAL . 12.9 mtpt -64.52 -12.07 40.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -62.75 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.1 p -52.75 -28.47 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.79 -174.43 54.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.504 HD13 HD13 ' A' ' 65' ' ' ILE . 11.1 mt -126.39 147.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.85 132.42 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.11 174.33 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.3 -11.74 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.9 p -92.54 28.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.37 17.17 24.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.59 154.4 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.39 149.39 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 94.5 t -126.91 151.24 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -136.75 149.86 48.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.855 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -98.14 92.8 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.87 141.82 31.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.467 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 29.2 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 73.2 t80 -57.14 99.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CD2' HD13 ' A' ' 32' ' ' LEU . 85.4 m-70 -72.39 -19.87 61.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 106.62 -125.3 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' A' ' 35' ' ' GLU . 1.8 m80 -98.42 87.13 3.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.7 tpp -105.29 151.37 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -87.71 139.14 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' NH1' ' A' ' 34' ' ' ARG . . . -49.96 -64.23 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.54 -30.46 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -72.23 -64.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.07 -44.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -56.43 -50.98 70.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -67.42 -40.54 85.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -59.33 -57.59 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 46' ' ' SER . 27.3 mt -53.52 -42.73 67.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.0 mt-30 -68.55 -34.87 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -60.2 -30.76 69.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -54.01 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.67 -24.43 26.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.753 ' O ' HD23 ' A' ' 48' ' ' LEU . 29.2 mt-10 -44.96 114.7 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.97 133.05 16.16 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.8 m95 76.3 45.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 91.8 m -112.62 119.04 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 89' ' ' VAL . 9.2 p90 -107.29 167.24 10.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -164.32 139.84 5.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.5 t -96.66 128.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.875 HH21 HG11 ' A' ' 44' ' ' VAL . 3.6 ptt180 -146.53 142.4 27.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 1.2 tt0 -72.64 149.17 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 123.51 30.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.31 -30.58 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.43 -34.69 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -116.73 100.27 53.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.5 -34.99 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.84 -176.32 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -148.63 154.09 39.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.875 HG11 HH21 ' A' ' 34' ' ' ARG . 45.8 t -118.52 147.73 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 56.7 tp -124.33 95.71 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.1 t -88.61 117.97 27.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.661 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.2 t -116.37 134.21 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.8 tp -85.28 124.82 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.14 160.54 15.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -91.98 23.82 3.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.32 110.76 50.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.563 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 171.37 18.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -92.03 -44.32 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.08 -27.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.94 -131.2 6.53 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 111.66 3.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.29 -19.05 10.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 77.2 p -99.65 153.79 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 144.39 30.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.563 HD23 ' CA ' ' A' ' 52' ' ' PRO . 38.4 mt -76.68 130.67 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -46.61 168.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 19' ' ' GLU . 90.6 t -127.97 151.86 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -129.02 112.33 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -90.55 104.98 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.825 HG12 HG21 ' A' ' 97' ' ' ILE . 2.2 mp -90.62 92.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.73 147.24 23.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.06 116.28 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.494 ' HB2' HG23 ' A' ' 75' ' ' THR . 11.3 mtm -85.61 104.11 15.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.16 95.16 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.04 135.62 50.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.67 41.22 89.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.55 14.21 48.65 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -117.03 149.86 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.8 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -113.14 140.8 47.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.518 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.72 150.45 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' C ' ' HE3' ' A' ' 68' ' ' MET . 3.0 m -92.28 4.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.52 29.59 2.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.21 172.88 19.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -37.68 88.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.39 141.95 58.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.518 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -136.8 -178.41 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CD2' HD12 ' A' ' 88' ' ' LEU . 29.2 m-85 -154.86 159.74 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -88.21 -43.05 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -123.69 161.2 25.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 m -66.88 -46.07 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -11.21 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.2 tt -94.61 -51.51 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.7 t -63.47 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.64 -12.87 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -86.32 -51.7 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.21 -6.44 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' CD ' HG12 ' A' ' 89' ' ' VAL . 23.2 mtpt -67.25 -9.39 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 95' ' ' THR . 44.7 p -50.97 -56.23 13.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.11 178.33 24.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.825 HG21 HG12 ' A' ' 65' ' ' ILE . 6.6 mt -124.46 136.09 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.25 129.07 42.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -80.33 168.61 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.6 -12.42 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 p -84.44 -17.34 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.92 -19.83 24.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 150.62 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -101.81 159.5 15.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 89.6 t -136.39 149.23 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -135.26 153.3 51.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.826 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -85.63 -50.36 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -143.14 140.95 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.0 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.621 ' HD2' HD22 ' A' ' 32' ' ' LEU . 26.5 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -57.06 102.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.607 ' HD2' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -79.49 -23.93 42.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.05 -113.2 4.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -102.77 80.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' HB3' ' A' ' 10' ' ' HIS . 20.4 tpp -106.38 145.11 32.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -83.66 132.16 34.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 34' ' ' ARG . . . -43.56 -61.24 2.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.38 -37.35 11.98 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.757 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.86 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.57 -49.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -49.93 -53.02 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -67.05 -38.76 86.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.6 mp -61.85 -58.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 46' ' ' SER . 14.3 mt -54.11 -46.68 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 78.8 mt-30 -62.73 -50.04 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.24 -37.13 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 99.11 -31.14 8.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 48' ' ' LEU . 46.3 mt-10 -38.35 113.8 0.75 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.3 m95 74.16 51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 111' ' ' TYR . 8.1 m -120.44 118.18 29.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.9 p90 -107.89 168.92 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 32' ' ' LEU . 3.4 pp -167.21 140.19 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.1 t -100.51 128.63 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NH2' ' N ' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.13 143.27 29.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.95 138.97 58.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -80.6 117.38 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 14' ' ' SER . 66.2 mt -70.84 -50.31 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -63.83 -30.14 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -121.08 89.26 46.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 111.2 3.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.34 -12.74 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.12 -178.76 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -137.21 156.79 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' OG ' ' A' ' 36' ' ' SER . 58.6 t -117.91 145.31 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.3 tp -120.08 96.95 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.7 m -91.86 111.3 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.674 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -112.99 131.07 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.9 tp -82.63 125.37 31.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 161.95 14.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.91 22.5 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -111.43 111.05 55.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.564 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.93 174.23 13.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -94.89 -44.06 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.51 -26.96 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 130.54 -130.71 6.25 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.22 5.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.82 -3.57 36.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.583 1.177 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -110.31 153.82 43.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.934 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.424 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.99 141.57 26.82 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' PRO . 62.3 mt -76.32 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 157.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.508 HG11 ' HG2' ' A' ' 19' ' ' GLU . 99.0 t -117.91 144.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -122.99 117.11 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 31.4 m-70 -98.06 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -96.0 94.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -57.1 139.0 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.7 113.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.8 mtm -80.75 116.63 20.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 49.6 t -107.49 93.96 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.51 124.76 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.79 36.09 91.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.94 68.9 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 132.35 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 21.9 m-85 -98.27 137.57 36.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.413 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -155.63 145.86 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.47 7.19 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.12 16.67 6.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.54 176.93 17.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -47.78 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.08 145.08 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 4.5 p -131.32 -172.68 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 11.4 m-85 -159.01 154.54 25.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.51 -33.17 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -126.06 147.16 49.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -56.1 -32.12 63.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.426 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 21.1 m -62.41 -53.78 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -22.09 61.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.9 tt -81.24 -50.09 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.603 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.4 t -67.72 -45.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.62 -15.2 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -84.19 -55.24 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -79.37 -6.77 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -13.6 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.37 -63.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.6 p -52.75 -23.23 6.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.82 177.81 20.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.427 1.08 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 65' ' ' ILE . 8.3 mt -113.57 152.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 24.2 tt0 -111.68 130.76 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -87.39 175.24 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.84 -23.23 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -14.93 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.74 26.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.36 153.99 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.6 m-85 -111.5 151.36 28.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.505 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 91.1 t -120.67 151.05 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.32 141.57 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -91.4 81.3 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -63.06 -52.7 61.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.45 146.35 20.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.01 165.29 31.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 30' ' ' THR . 64.3 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.469 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 66.8 t80 -59.1 103.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.576 ' CD2' HD13 ' A' ' 32' ' ' LEU . 86.9 m-70 -73.28 -32.69 64.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.44 -126.4 8.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.32 81.01 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -110.47 139.98 45.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.4 t -84.11 125.24 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -40.0 -64.47 1.09 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.85 -32.5 2.25 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.753 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.19 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.303 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -48.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.2 mt-10 -49.72 -52.43 31.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -68.67 -39.8 80.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.8 mp -60.43 -57.4 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.605 ' O ' HD22 ' A' ' 48' ' ' LEU . 24.8 mt -53.07 -37.99 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -71.19 -43.03 68.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.72 -40.02 26.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -54.9 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.14 -28.79 10.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.708 ' O ' HD23 ' A' ' 48' ' ' LEU . 67.7 mt-10 -40.64 115.44 1.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 138.8 23.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.6 m95 74.69 47.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.026 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.1 m -115.06 116.6 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -106.88 167.19 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.3 pp -166.72 138.93 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.73 134.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.43 166.15 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -92.11 136.45 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.68 123.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.96 -44.79 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -30.99 71.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.175 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.02 96.1 42.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.77 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.11 -18.94 7.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -100.34 -175.76 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.0 154.01 40.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' HB ' ' NH1' ' A' ' 34' ' ' ARG . 45.2 t -121.26 147.15 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 31' ' ' PHE . 51.1 tp -122.39 99.58 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -91.69 117.18 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 ' CB ' ' A' ' 31' ' ' PHE . 69.2 t -116.11 128.52 73.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.1 tp -79.39 119.88 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.13 161.66 17.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.74 19.79 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -108.77 110.56 61.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.61 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 175.96 10.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -43.97 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.34 -26.78 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 124.22 -122.25 4.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.57 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.81 6.01 58.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.729 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 91.6 p -111.63 153.18 44.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.87 27.35 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.61 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.6 mt -79.85 125.51 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -44.9 165.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' HG2' ' A' ' 19' ' ' GLU . 90.8 t -126.8 144.11 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.2 m -120.18 116.73 26.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -96.45 112.03 23.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 97' ' ' ILE . 3.0 mp -100.92 92.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -54.22 150.09 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.17 106.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 2.6 mtm -83.34 123.74 29.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.6 93.43 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.49 134.76 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.4 38.46 90.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.06 34.83 85.39 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -137.02 139.3 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE2' HD23 ' A' ' 85' ' ' LEU . 39.6 m-85 -102.21 139.91 37.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.438 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.8 t -155.95 149.89 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.409 ' C ' ' HE3' ' A' ' 68' ' ' MET . 17.5 m -95.1 6.6 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.91 27.76 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.27 171.44 18.03 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.78 -43.42 98.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.47 152.87 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.9 p -145.91 -178.28 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.684 ' CD2' HD12 ' A' ' 88' ' ' LEU . 27.6 m-85 -157.22 159.8 38.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -38.07 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 m -125.29 151.91 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.032 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' A' ' 74' ' ' TYR . 1.4 mm? -59.49 -30.5 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 m -61.5 -49.72 75.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.86 -13.87 48.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.684 HD12 ' CD2' ' A' ' 82' ' ' PHE . 7.7 tt -91.25 -58.79 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 31' ' ' PHE . 10.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.11 -17.31 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -84.5 -47.27 10.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -84.39 -8.55 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -65.04 -11.74 42.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -118.99 -63.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 95' ' ' THR . 49.8 p -53.36 -35.67 60.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.63 -173.87 54.0 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -125.82 145.34 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -102.74 121.82 43.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 105' ' ' VAL . 14.7 mt-10 -75.67 -177.77 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 -20.08 22.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.83 -4.95 46.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.27 -4.9 67.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.37 152.28 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.02 155.69 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.52 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 85.9 t -131.71 149.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -134.37 149.47 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.701 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -97.96 93.55 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -75.5 -50.42 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.17 146.52 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 174.17 13.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 47.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.17 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 32' ' ' LEU . 91.2 m-70 -77.83 -26.98 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 -115.45 4.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -94.9 82.12 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 22.8 tpp -111.73 144.71 40.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 129.76 35.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.6 -64.04 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.03 -38.48 4.72 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.89 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.82 -55.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -44.26 -49.13 9.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -70.92 -44.28 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -56.56 -52.62 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 48' ' ' LEU . 12.5 mt -59.06 -45.01 91.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.4 mt-30 -62.34 -46.47 88.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.226 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.14 -39.05 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -53.35 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.62 23.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.735 ' O ' HD23 ' A' ' 48' ' ' LEU . 94.9 mt-10 -41.46 115.62 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.0 130.89 13.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.488 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.7 m95 79.16 54.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 4.2 m -122.13 116.92 25.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -107.58 168.41 9.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.6 pp -166.57 136.25 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.1 t -96.64 132.52 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.06 143.67 29.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 2.0 tt0 -70.46 138.74 51.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.1 111.65 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.15 -51.2 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -29.93 71.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -121.83 93.01 48.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.67 -11.97 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -114.64 -178.04 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 35' ' ' GLU . 97.2 m-85 -144.14 155.63 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.1 144.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 31' ' ' PHE . 13.7 tp -120.28 106.6 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -101.07 109.68 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 31' ' ' PHE . 90.1 t -108.86 134.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.0 tp -84.36 125.9 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -94.14 158.52 15.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.53 16.73 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -106.57 108.98 62.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.65 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 174.73 12.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -93.83 -44.31 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.46 -26.87 7.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.63 -127.6 5.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.15 3.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 1.01 30.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.552 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 82.0 p -113.11 154.0 45.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 140.44 25.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.1 mt -76.79 126.25 30.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 160.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 19' ' ' GLU . 88.2 t -124.95 148.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -124.63 118.97 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 40.6 m-70 -99.8 113.31 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.634 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 97' ' ' ILE . 3.1 mp -99.86 92.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.84 120.49 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -88.26 125.51 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.5 mtm -93.47 113.15 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -102.5 93.69 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.45 130.35 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.54 84.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.69 24.32 74.05 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -125.83 138.21 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.25 136.75 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.572 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.2 t -155.49 147.34 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 65' ' ' ILE . 3.0 m -92.8 7.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.86 14.55 7.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.64 176.32 19.34 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.79 -37.93 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.06 144.09 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -136.2 -177.16 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 81' ' ' THR . 20.9 m-85 -156.07 164.15 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.89 -37.94 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 p -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.59 -27.18 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -64.25 -49.03 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -16.21 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.7 tt -85.09 -52.35 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 31' ' ' PHE . 14.5 t -67.03 -38.9 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.85 -10.36 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.29 -57.31 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.413 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 88.8 m-85 -75.26 -7.17 53.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -14.64 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -63.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 95' ' ' THR . 46.7 p -52.18 -42.24 63.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.02 -176.29 48.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 65' ' ' ILE . 5.6 mt -121.64 155.15 25.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.4 tt0 -113.2 132.34 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -82.07 178.28 8.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.93 -15.39 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.5 p -81.44 -13.39 58.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.06 -20.48 26.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 153.15 36.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.9 m-85 -110.8 154.61 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.488 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 82.6 t -126.16 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.763 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -99.98 86.12 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 18.0 mtp-105 -69.98 -44.69 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -150.72 146.74 19.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.05 -175.58 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 68.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -66.19 100.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -73.19 -28.45 62.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.07 -134.13 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.445 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -81.1 84.48 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.612 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.441 ' HE2' HD22 ' A' ' 21' ' ' LEU . 34.4 ttm -108.66 139.34 43.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -82.48 129.42 34.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -39.18 -63.99 1.02 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.16 4.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.767 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.57 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -49.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -50.47 -53.19 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -39.92 88.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -60.74 -63.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 46' ' ' SER . 15.7 mt -49.02 -39.54 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 81.2 mt-30 -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.13 -38.53 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -77.39 -56.31 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.82 -18.6 56.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -47.97 116.65 4.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.32 20.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 72.43 44.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 55.5 m -109.99 117.38 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.2 p90 -107.25 168.18 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.73 147.8 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.6 t -104.16 135.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.604 ' NH2' HG11 ' A' ' 44' ' ' VAL . 13.7 ptt85 -146.32 165.8 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 4.0 mt-10 -88.6 146.03 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 127.28 34.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.15 -47.4 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -16.95 64.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -138.25 106.36 7.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.84 -37.3 2.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.31 169.24 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.99 156.88 48.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' NH2' ' A' ' 34' ' ' ARG . 63.0 t -118.07 144.81 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.3 tp -123.13 91.3 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.62 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.8 t -85.68 120.06 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -118.98 128.85 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -80.72 125.13 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.49 160.71 15.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.99 19.61 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.3 112.46 57.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.596 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 175.86 10.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -44.38 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.61 -26.57 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 -129.72 6.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.56 -4.11 19.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 52.7 p -110.92 153.89 43.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 140.7 25.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 52' ' ' PRO . 94.8 mt -73.12 124.24 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 160.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.7 t -122.01 154.82 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -132.77 110.73 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 91.2 m-70 -89.21 110.07 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -100.05 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -63.24 157.07 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.1 t -130.48 115.56 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.56 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 7.2 mtm -85.98 117.42 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.469 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 17.9 t -104.32 94.11 5.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.51 124.59 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.34 95.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 20.85 50.02 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.53 136.7 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.801 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -109.86 138.05 46.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.452 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.83 153.83 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' MET . 18.0 m -96.03 6.78 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.56 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.9 32.27 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.81 177.08 18.9 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -46.24 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.22 139.46 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.492 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 15.4 p -133.68 -175.22 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.687 ' HD2' HD12 ' A' ' 88' ' ' LEU . 16.7 m-85 -158.62 157.98 32.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -95.71 -34.15 12.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -121.74 137.38 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.67 -28.97 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 -55.1 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -17.11 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' A' ' 82' ' ' PHE . 9.0 tt -87.4 -52.11 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.3 t -66.93 -39.03 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.99 -14.05 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 27.9 t60 -85.45 -52.71 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.403 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 75.2 m-85 -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.63 -16.26 64.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -112.54 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 52.9 p -52.91 -53.44 49.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.82 -175.83 24.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 65' ' ' ILE . 8.1 mt -123.13 149.96 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.757 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -108.19 125.42 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.52 -176.81 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.74 -11.51 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.83 -5.46 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.17 -2.92 58.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.73 153.24 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -106.44 160.79 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.528 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 41.4 t -138.21 156.86 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -142.05 148.71 38.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.728 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -96.43 99.14 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 12.5 mtt-85 -82.4 -61.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -136.49 141.26 34.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.98 156.35 43.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.631 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 71.4 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.644 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 100.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.839 ' CD2' HD13 ' A' ' 32' ' ' LEU . 88.5 m-70 -73.58 -32.05 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.34 -140.06 15.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 87.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 ttm -112.23 127.88 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 37' ' ' LEU . 5.0 t -69.12 141.2 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.44 -64.23 4.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.85 -26.73 2.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -74.83 -63.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.49 -51.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -48.87 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.03 -40.9 74.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG2' ' A' ' 17' ' ' GLN . 1.9 mp -59.22 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 46' ' ' SER . 21.7 mt -52.39 -41.0 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.56 -40.05 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -52.62 -35.93 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CG ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -78.95 -56.65 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.12 -22.47 38.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.566 ' O ' HD23 ' A' ' 48' ' ' LEU . 12.2 mp0 -47.12 115.93 3.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.04 137.6 21.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 73.4 40.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.3 m -107.31 116.68 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.844 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.5 p90 -107.12 166.72 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.25 143.34 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.644 HG21 ' CE3' ' A' ' 8' ' ' TRP . 11.3 t -96.61 133.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.48 165.98 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.51 139.65 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.67 110.09 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 14' ' ' SER . 14.6 mt -64.1 -43.43 95.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -32.23 72.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.28 95.83 48.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 108.66 2.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -19.99 4.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -171.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -147.06 154.5 41.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.97 146.19 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -123.1 92.63 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.9 m -85.63 119.7 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.797 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.5 t -120.28 127.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.7 tp -80.01 121.21 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.94 160.66 17.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.35 26.52 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -116.27 111.94 42.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.542 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.0 170.64 19.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -90.2 -44.38 9.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.59 -27.31 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.72 -127.36 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.11 2.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.61 -3.45 17.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 43.7 p -112.9 153.56 45.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.6 mt -75.09 123.23 24.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -41.52 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.52 145.51 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.6 m -123.39 118.09 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -99.45 109.26 21.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' A' ' 97' ' ' ILE . 2.9 mp -96.7 92.55 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 142.83 41.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.38 127.31 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 6.8 mtm -100.85 110.73 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 42.9 t -96.38 94.36 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.91 139.73 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 33.5 39.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.74 69.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -118.62 133.41 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 85' ' ' LEU . 85.8 m-85 -102.51 140.12 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.4 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.3 t -155.45 149.29 25.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.85 7.41 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.19 14.72 7.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.087 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.72 176.84 19.05 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -44.48 72.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 91' ' ' HIS . 5.9 mt-10 -59.09 146.4 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.453 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.7 p -134.48 -177.02 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 21.3 m-85 -156.49 155.57 32.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.81 -31.03 14.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 m -128.73 145.94 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.5 mm? -55.59 -28.42 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -66.03 -50.55 63.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -15.03 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 88' ' ' LEU . 2.1 tt -87.93 -46.69 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -71.02 -40.35 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.66 -12.11 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' ' OE1' ' A' ' 80' ' ' GLU . 79.3 t60 -83.79 -59.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.72 -6.99 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.3 -17.06 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 -63.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.2 p -53.5 -56.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.65 -178.63 25.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.9 mt -119.66 143.48 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -96.78 129.56 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -85.26 164.31 18.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.31 -14.91 62.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.4 -19.64 35.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.68 -22.66 16.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.9 45.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.86 158.92 15.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.555 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.7 t -132.68 148.73 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -135.32 151.8 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.844 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -100.15 101.06 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -84.54 -59.58 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.18 138.35 28.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.0 156.79 43.02 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 32' ' ' LEU . 20.9 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.614 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -51.8 102.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CD2' HD13 ' A' ' 32' ' ' LEU . 95.0 m-70 -78.98 -26.19 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.9 4.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -97.13 81.3 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.453 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 27.3 tpp -109.88 141.09 43.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 m -80.36 128.15 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.96 -61.44 2.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.49 -34.83 6.83 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.758 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.85 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.94 -53.45 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -45.58 -50.32 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.02 -43.34 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -57.21 -56.0 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.9 mt -53.74 -46.09 70.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.83 -43.93 94.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.3 17.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -53.53 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.43 -23.67 26.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 87.5 mt-10 -41.15 115.6 1.33 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.3 m95 83.82 54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.1 m -123.14 117.41 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -107.29 168.39 9.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 ' CD2' ' A' ' 10' ' ' HIS . 2.4 pp -165.58 137.0 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.614 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.9 t -96.65 130.69 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.33 138.04 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.75 136.25 55.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -73.34 103.6 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.64 -50.16 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -29.48 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -121.51 93.56 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.73 3.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.34 -21.37 5.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.54 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.28 157.84 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.443 HG23 ' OG ' ' A' ' 36' ' ' SER . 51.3 t -119.75 145.96 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 31' ' ' PHE . 62.7 tp -125.85 99.45 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.5 m -92.83 116.58 29.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 31' ' ' PHE . 76.7 t -114.75 135.96 52.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 11.9 tp -86.75 128.17 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 162.19 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.33 24.83 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -112.67 107.02 55.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.643 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -93.73 -44.16 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.46 -26.92 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.99 -127.21 5.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.69 3.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.3 29.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 80.6 p -110.19 153.75 43.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.03 26.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.643 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.6 mt -77.71 126.45 30.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -46.01 157.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.0 t -120.81 146.4 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -123.79 117.96 26.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 42.5 m-70 -96.55 110.68 23.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.56 93.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -56.53 143.03 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.64 109.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 75' ' ' THR . 20.5 mtm -80.89 114.62 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.3 t -102.09 93.52 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 108.276 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.36 134.62 51.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.63 33.92 59.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.52 19.38 72.74 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 134.32 55.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' THR . 29.9 m-85 -100.74 136.04 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.6 OUTLIER -155.24 145.94 22.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.55 7.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.449 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.99 15.55 7.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.23 176.83 17.72 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.79 -47.0 70.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.97 143.86 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.49 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 11.9 p -133.03 -175.52 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CD2' HD12 ' A' ' 88' ' ' LEU . 19.5 m-85 -158.88 153.09 23.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.42 -36.45 13.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -121.62 145.93 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 m -64.19 -45.9 86.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -13.11 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.786 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -92.8 -50.17 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.662 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -67.01 -37.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.8 -7.28 49.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -90.25 -52.13 5.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 83.8 m-85 -81.1 -7.45 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.82 -17.44 64.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.78 -62.35 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 77.3 p -54.97 -58.7 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.79 -179.29 21.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 107' ' ' LEU . 7.5 mt -124.17 153.35 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -108.13 134.42 51.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -90.5 177.15 6.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.29 -12.28 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -89.31 16.57 7.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.24 17.12 71.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.93 154.16 22.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.5 153.9 22.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.526 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 93.0 t -129.97 149.74 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.76 148.6 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -99.82 83.27 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -67.11 -41.83 85.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -155.7 150.9 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 -170.45 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 55.3 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.1 t80 -60.49 103.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 75.5 m-70 -77.65 -2.64 36.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 92.9 -116.97 5.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -110.98 89.27 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.598 ' HE3' HD22 ' A' ' 21' ' ' LEU . 1.8 tpp -103.17 159.27 15.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.9 t -99.63 129.1 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -37.63 -63.91 0.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.33 -41.03 6.35 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -63.25 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -53.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.1 mt-10 -45.0 -49.88 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -71.24 -42.67 68.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.745 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -56.97 -50.7 71.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.67 ' HB3' HD13 ' A' ' 48' ' ' LEU . 23.3 mt -61.05 -41.72 97.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 85.0 mt-30 -65.54 -43.16 90.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.51 60.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -55.98 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.79 -9.01 78.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.723 ' O ' HD23 ' A' ' 48' ' ' LEU . 45.0 mt-10 -56.48 116.91 14.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.99 132.01 14.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.4 m95 74.01 42.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 11.7 m -107.54 118.95 38.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.82 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.9 p90 -107.44 165.66 11.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.4 pp -164.07 141.55 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.5 t -96.66 131.01 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.795 ' NH2' HG11 ' A' ' 44' ' ' VAL . 31.0 ptt85 -145.44 141.11 28.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 3.6 mt-10 -75.16 147.55 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.02 136.75 35.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 12' ' ' HIS . 86.9 mt -84.68 -51.85 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 p -64.12 -22.5 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.19 98.57 32.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 105.91 2.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.51 -28.52 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.74 171.92 10.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -138.5 156.7 47.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.795 HG11 ' NH2' ' A' ' 34' ' ' ARG . 60.8 t -120.62 144.75 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 31' ' ' PHE . 5.6 tp -120.07 100.11 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.534 ' HG ' ' HD1' ' A' ' 64' ' ' HIS . 2.0 m -94.15 116.98 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.731 HG22 ' CB ' ' A' ' 31' ' ' PHE . 53.7 t -117.44 130.53 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.05 129.48 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 158.42 15.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.83 21.13 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -113.24 109.78 51.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.642 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.03 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -91.03 -44.75 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.35 -27.01 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.19 -125.86 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.85 -1.14 28.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.643 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.4 p -111.75 153.84 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 146.04 32.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.9 mt -82.0 126.3 31.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -44.63 150.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HG2' ' A' ' 19' ' ' GLU . 64.1 t -113.39 150.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 HD11 ' A' ' 65' ' ' ILE . 1.8 m -129.38 112.21 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.534 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 55.5 m-70 -98.29 118.87 35.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -107.93 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 145.96 41.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.0 122.97 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.422 ' HB2' HG23 ' A' ' 75' ' ' THR . 12.2 mtm -93.59 120.6 34.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.3 t -105.76 93.72 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -125.55 123.65 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.83 37.56 94.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.75 28.06 72.04 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -127.82 136.14 51.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 30.0 m-85 -102.73 138.67 39.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.5 t -155.64 149.03 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.9 m -94.47 7.14 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 22.65 5.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.97 176.98 16.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -38.5 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.27 146.52 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 ' HB ' ' A' ' 75' ' ' THR . 3.5 p -136.47 -178.9 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 88' ' ' LEU . 30.6 m-85 -154.71 156.49 36.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.33 -36.05 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -122.12 139.5 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.6 mm? -53.36 -25.94 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.6 m -67.96 -45.47 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -12.17 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.3 tt -92.86 -53.74 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 31' ' ' PHE . 43.3 t -62.9 -37.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.22 -6.54 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -94.2 -50.59 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.605 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 74.5 m-85 -80.98 -7.35 59.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -63.38 -13.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 -64.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.3 p -52.04 -27.52 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 -173.9 45.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 65' ' ' ILE . 8.6 mt -127.66 149.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -108.16 124.69 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.41 175.55 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.5 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.11 -19.21 23.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.31 146.09 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.17 163.1 13.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 45.8 t -133.67 165.07 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.478 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 53.3 m-85 -151.0 148.86 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -100.63 95.81 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -82.04 -33.01 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.32 150.22 7.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -74.99 156.31 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.638 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 75.7 t80 -55.08 101.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.588 ' HD2' HD13 ' A' ' 32' ' ' LEU . 91.5 m-70 -74.28 -24.27 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.56 -131.96 10.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -88.87 80.2 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 tpp -101.57 150.14 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -88.16 126.44 35.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.41 -64.03 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.27 -35.97 2.79 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.761 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.4 -63.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -50.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.5 mt-10 -47.54 -53.05 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -68.12 -41.46 81.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.761 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.4 mp -58.17 -56.88 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 46' ' ' SER . 24.1 mt -53.69 -44.46 69.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -63.97 -49.5 72.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -39.42 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -53.06 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -8.09 78.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.746 ' O ' HD23 ' A' ' 48' ' ' LEU . 23.7 mt-10 -56.07 115.5 9.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 17.4 m95 79.73 48.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 28.8 m -117.37 117.15 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -106.36 167.53 9.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -165.41 140.17 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.0 t -97.32 132.52 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH2' HG11 ' A' ' 44' ' ' VAL . 28.7 ptt85 -146.44 164.89 31.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -88.92 139.73 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 127.62 32.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.23 -41.84 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -26.39 63.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -126.94 95.07 37.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.55 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.74 -25.15 5.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -171.34 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -144.32 154.4 43.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' NH2' ' A' ' 34' ' ' ARG . 39.5 t -117.54 145.33 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.1 tp -122.78 98.81 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.4 m -92.38 118.12 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.729 HG22 ' CB ' ' A' ' 31' ' ' PHE . 65.9 t -117.23 133.95 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.2 tp -85.37 131.29 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.8 160.74 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.16 21.16 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -109.07 108.82 60.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.624 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.96 173.68 14.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -94.93 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.22 -26.91 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.47 -125.35 5.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.64 3.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 2.29 32.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 59.8 p -113.65 151.72 44.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 Cg_endo -75.04 142.1 27.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.624 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.6 mt -76.42 127.12 32.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 165.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.4 t -126.21 149.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.4 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.3 m -127.12 118.09 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 65.7 m-70 -98.75 114.07 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -101.72 93.14 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.28 142.27 43.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.27 107.68 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.493 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 7.5 mtm -81.19 126.07 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -110.03 93.57 4.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.68 133.38 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.12 33.18 86.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.3 24.56 70.72 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -127.85 143.04 51.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' HB3' HD12 ' A' ' 88' ' ' LEU . 44.7 m-85 -104.68 140.15 38.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.1 t -155.74 151.5 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.493 ' C ' ' HE3' ' A' ' 68' ' ' MET . 15.1 m -94.02 7.14 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.05 5.97 16.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.8 174.77 21.92 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.0 -48.31 76.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.93 139.43 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.548 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.2 p -130.55 -176.18 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 17.8 m-85 -155.97 164.17 38.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -36.24 8.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -123.12 141.01 52.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -34.1 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -59.23 -47.78 84.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -17.7 64.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tt -85.27 -47.03 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 31' ' ' PHE . 21.6 t -71.55 -43.02 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.3 -6.54 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -88.89 -56.24 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.546 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -79.6 -7.41 58.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -62.16 -14.28 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -64.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 46.2 p -52.91 -35.94 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.07 173.28 47.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -111.0 150.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -107.36 130.93 54.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.71 -178.9 6.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.81 -2.2 56.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.36 -5.34 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -18.25 51.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.71 154.03 36.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -110.82 161.06 16.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.542 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 92.2 t -134.46 147.11 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -131.41 152.47 50.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.925 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.2 mp -101.64 99.33 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 13.2 mtp-105 -82.35 -38.22 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -162.02 147.49 10.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.01 176.92 9.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 65.8 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.44 106.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.804 ' CD2' HD13 ' A' ' 32' ' ' LEU . 89.8 m-70 -79.8 -30.24 40.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.637 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.33 -122.77 6.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.494 ' CD2' ' CD1' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -89.19 90.62 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.617 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.4 tpp -113.25 140.14 48.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' GLN . 9.1 m -83.7 125.92 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.66 -64.05 0.92 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.97 -32.36 4.66 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.734 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.33 -65.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.9 -52.07 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.5 mt-10 -47.79 -49.57 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -71.26 -41.32 70.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.98 -57.58 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 48' ' ' LEU . 26.3 mt -51.71 -39.3 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.47 -47.53 60.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.23 -38.44 5.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -54.9 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 -7.66 81.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD23 ' A' ' 48' ' ' LEU . 56.2 mt-10 -57.65 116.78 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.01 132.16 15.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.94 39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 18.2 m -105.04 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.777 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.9 p90 -107.3 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.71 139.48 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.565 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 10.9 t -96.11 132.84 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.677 ' NH2' HG11 ' A' ' 44' ' ' VAL . 22.3 ptt85 -145.24 148.69 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.76 137.51 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 126.68 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 7.6 mp -84.61 -37.78 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -17.95 60.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -133.89 105.93 11.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -37.96 3.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -175.93 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -146.79 161.54 40.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.677 HG11 ' NH2' ' A' ' 34' ' ' ARG . 38.8 t -119.94 146.58 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.3 tp -127.35 96.8 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -90.11 122.3 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.777 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.2 t -120.61 135.79 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -87.22 130.86 34.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.71 163.16 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.29 22.83 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.89 113.16 39.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.0 168.45 24.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.772 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -96.9 -40.52 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -123.8 34.34 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.07 -134.69 34.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.34 20.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.64 -8.36 68.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.761 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.8 p -110.69 153.57 43.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.28 39.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 52' ' ' PRO . 52.6 mt -81.84 130.78 35.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -45.93 154.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.4 t -113.94 149.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -131.24 120.2 22.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.94 118.52 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' A' ' 97' ' ' ILE . 3.2 mp -99.47 92.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 145.45 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.31 121.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.573 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.4 mtm -93.95 119.77 33.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.5 p -96.64 97.1 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.368 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.54 122.42 37.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.93 96.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.11 13.54 62.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -115.78 138.64 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.0 m-85 -99.21 142.25 30.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.573 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -155.37 144.68 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 m -88.35 6.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.82 5.41 18.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.97 176.06 27.95 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -38.77 79.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.95 150.1 43.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 1.2 p -137.23 -174.6 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.845 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.2 m-85 -158.34 154.84 27.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.81 15.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 149.89 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.3 mm? -57.04 -30.65 64.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -61.19 -48.72 80.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -13.58 62.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.845 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -89.88 -50.89 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.7 t -65.15 -38.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.48 -9.18 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -87.97 -52.72 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -81.36 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.128 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -15.77 58.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 -63.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -53.12 -36.74 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.15 -172.7 54.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 65' ' ' ILE . 7.4 mt -127.82 152.83 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -110.76 124.09 51.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -75.63 172.51 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.32 -17.99 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.95 -14.89 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.28 -9.12 45.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.97 148.3 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -98.76 162.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 72.6 t -137.93 156.98 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -141.83 148.68 39.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.767 HD12 ' N ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -100.69 88.66 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 15.8 mtp-105 -71.68 -55.7 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -140.66 147.52 49.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 21.1 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.59 99.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 74.6 m-70 -69.89 -27.61 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.37 -135.81 13.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -82.86 91.74 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.3 ttm -111.82 148.21 34.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -85.66 124.77 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.15 -63.58 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.9 -38.12 10.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.71 -62.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -51.76 -47.65 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -71.2 -37.72 72.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.0 mp -63.09 -56.6 15.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.665 ' O ' HD22 ' A' ' 48' ' ' LEU . 28.3 mt -55.99 -39.25 71.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 86.3 mt-30 -69.32 -51.59 35.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.7 -34.06 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -76.73 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.46 46.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 48' ' ' LEU . 33.8 mt-10 -48.61 113.27 2.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.24 23.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.5 m95 71.63 41.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 79.8 m -110.21 116.57 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -106.71 166.64 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.768 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.95 140.62 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG21 ' CE3' ' A' ' 8' ' ' TRP . 10.8 t -96.8 132.74 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.514 HH21 HG11 ' A' ' 44' ' ' VAL . 50.1 ptt85 -145.94 146.79 31.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 140.13 45.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.24 143.08 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -94.28 -51.11 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -64.9 -25.03 67.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -120.43 103.15 44.62 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.22 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.38 -26.31 8.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.31 164.26 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -127.67 157.77 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.514 HG11 HH21 ' A' ' 34' ' ' ARG . 37.3 t -118.75 146.48 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.2 tp -124.56 101.93 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.8 m -94.37 122.07 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -122.8 132.83 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 22' ' ' LEU . 15.2 tp -86.86 116.86 25.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.72 161.21 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.54 24.87 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -114.4 111.77 46.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.565 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 174.81 12.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -95.14 -44.26 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.93 -26.88 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.41 -131.21 6.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.51 2.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.06 -4.54 11.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.493 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 87.9 p -113.14 153.61 45.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.1 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 52' ' ' PRO . 66.2 mt -75.12 128.57 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 19' ' ' GLU . 96.6 t -128.05 146.49 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -125.82 118.24 25.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -99.65 108.84 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 97' ' ' ILE . 2.7 mp -94.43 95.17 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -61.59 131.3 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.32 124.81 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.489 ' HB2' HG23 ' A' ' 75' ' ' THR . 15.2 mtm -97.95 112.56 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 52.3 t -100.06 94.19 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 108.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.3 138.14 52.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.8 35.21 66.93 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.79 28.73 73.75 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -133.52 138.6 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 85' ' ' LEU . 63.6 m-85 -102.42 140.35 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.7 OUTLIER -155.58 144.58 20.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.406 ' HB ' HG23 ' A' ' 65' ' ' ILE . 2.6 m -90.58 7.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 7.23 14.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.02 176.74 27.23 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -41.69 74.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.91 150.67 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.46 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.6 p -138.79 -177.4 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' C ' ' A' ' 81' ' ' THR . 25.3 m-85 -157.59 163.54 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -98.9 -36.09 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 p -119.74 146.81 45.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.4 mm? -57.96 -37.43 74.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.453 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 86.6 m -58.37 -45.65 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -21.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -81.74 -48.32 11.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.5 t -68.45 -42.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.29 -12.74 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -85.71 -54.34 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -79.04 -7.32 58.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -64.53 -13.3 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.3 p -51.89 -62.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 105' ' ' VAL . . . 110.75 168.69 19.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 65' ' ' ILE . 5.6 mt -109.97 136.72 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -86.1 135.5 33.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -94.65 -176.2 3.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.19 -6.14 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 14.11 29.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.68 70.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.86 148.56 32.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.32 159.54 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 95.9 t -127.19 148.33 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -123.76 143.23 50.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.8 mp -98.71 82.67 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.6 mtp-105 -61.12 -63.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -136.95 147.04 57.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.95 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.6 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.631 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -51.36 106.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 87.8 m-70 -86.1 -29.93 22.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.12 -111.48 3.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 91.33 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.9 ttm -116.28 155.67 27.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.58 127.26 49.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.4 -63.18 1.42 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.4 -40.95 6.41 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.774 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.07 -63.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.13 -51.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -49.52 -50.08 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -68.99 -38.22 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.5 mp -64.17 -61.6 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 46' ' ' SER . 40.3 mt -48.79 -42.79 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.5 mt-30 -69.08 -48.9 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.8 -34.83 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 103.65 -32.31 7.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.5 mt-10 -38.01 113.69 0.71 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.98 138.91 23.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.8 m95 74.41 47.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.3 m -115.41 115.53 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.907 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.9 p90 -107.32 166.0 10.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -164.11 136.57 4.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.631 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.3 t -96.96 139.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -145.74 159.7 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.48 135.96 34.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 80.2 p -70.85 126.42 29.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -94.25 -42.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -87.53 -25.24 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -93.39 137.36 23.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 122.82 7.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.89 59.34 1.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.535 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -138.08 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 13.5 m-85 -144.89 157.53 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.0 t -122.77 142.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.5 tp -117.05 99.36 7.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.602 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.4 t -91.41 110.49 21.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 31' ' ' PHE . 92.5 t -112.98 126.51 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.6 tp -77.89 124.47 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -88.38 165.97 14.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -97.47 14.65 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -104.96 111.81 65.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.611 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.05 171.62 17.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -91.45 -44.53 9.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.92 -26.98 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.04 -129.71 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.72 -5.45 22.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 54.1 p -110.86 153.5 43.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.9 mt -76.53 127.31 32.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -45.2 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.0 t -120.29 153.12 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -128.86 113.62 15.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -93.38 101.91 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.4 mp -91.87 96.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 133.72 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.15 126.57 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 mtm -93.37 110.95 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 19.7 t -99.7 93.27 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.56 142.82 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.61 31.44 52.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.44 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -121.57 148.88 43.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 69.9 m-85 -111.44 139.74 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.6 t -155.92 150.06 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 m -93.4 6.54 6.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 24.77 4.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.11 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.78 71.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.75 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -134.11 -174.55 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 81' ' ' THR . 16.1 m-85 -159.24 158.48 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -94.37 -36.43 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 p -125.17 146.44 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.72 -32.79 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 m -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -17.9 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.583 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.6 tt -85.48 -48.74 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -68.64 -54.65 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.14 -18.11 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.3 t60 -79.3 -61.29 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.5 m-85 -72.71 -6.6 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.67 -15.46 62.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 2.0 pttt -115.0 -62.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 43.6 p -52.3 -57.24 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 172.75 26.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.526 HD13 HD13 ' A' ' 65' ' ' ILE . 7.2 mt -111.41 155.35 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.8 tt0 -115.06 130.02 56.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -83.43 173.12 11.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.0 -27.34 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t -69.32 -13.33 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.72 -21.96 29.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.98 154.64 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.3 m-85 -111.78 150.66 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.599 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 88.7 t -122.51 147.02 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -130.87 154.42 48.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.907 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -102.08 95.76 6.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 13.2 mtp180 -76.34 -50.35 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -146.77 141.23 15.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.93 160.7 40.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.6 t80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 78.5 t80 -67.48 100.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -74.31 -24.28 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.13 -137.24 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -81.64 102.82 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.601 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.432 ' CE ' HD22 ' A' ' 21' ' ' LEU . 39.1 ttm -121.67 143.23 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -83.48 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.24 -59.84 2.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.54 26.78 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.97 -63.43 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.7 -48.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.01 -48.85 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -69.29 -39.53 78.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -60.6 -57.34 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' A' ' 48' ' ' LEU . 41.7 mt -53.71 -39.59 65.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.8 mt-30 -69.59 -42.86 73.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.34 -35.39 38.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HE2' ' CE1' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -77.44 -62.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.98 -14.95 62.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -55.56 119.4 24.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.01 132.88 15.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.503 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.2 m95 75.09 46.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 27' ' ' GLU . 11.6 m -111.26 116.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -106.71 166.14 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.35 144.52 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' CE3' ' A' ' 8' ' ' TRP . 4.9 t -102.07 128.66 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.848 HH21 HG11 ' A' ' 44' ' ' VAL . 3.4 ptt180 -145.9 147.78 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.5 tt0 -72.95 146.5 46.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.03 135.34 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.75 -45.36 11.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -29.2 70.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -128.3 106.42 19.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.54 -40.31 2.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.39 171.78 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.763 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -135.6 160.15 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.848 HG11 HH21 ' A' ' 34' ' ' ARG . 98.9 t -123.52 146.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -122.22 96.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.2 t -89.77 120.21 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' CB ' ' A' ' 31' ' ' PHE . 79.7 t -117.72 136.47 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -86.67 126.5 34.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 159.68 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.24 22.66 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -115.25 111.43 44.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.04 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -96.96 -43.16 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.68 -27.31 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.52 -123.3 5.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.38 4.57 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.5 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.749 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 78.2 p -112.0 153.14 44.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.0 144.16 29.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.2 mt -81.66 125.92 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.13 155.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.499 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.6 t -118.77 149.03 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.19 111.93 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.9 111.07 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -98.8 93.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -57.59 154.59 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 t -127.46 126.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 mtm -96.48 111.76 23.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 38.1 t -98.97 93.83 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -128.14 141.47 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.14 43.23 50.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.89 62.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -133.08 143.05 49.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -110.56 139.96 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.4 t -155.69 151.16 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.77 7.15 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 10.79 10.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.07 173.34 20.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -48.5 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.57 148.66 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.7 p -138.49 -178.87 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CG ' ' C ' ' A' ' 81' ' ' THR . 29.9 m-85 -155.46 161.61 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.53 -40.02 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -116.86 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -50.03 -35.24 24.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 m -58.63 -53.02 63.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -17.55 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 74' ' ' TYR . 8.1 tt -87.44 -54.16 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.673 HG11 ' CE2' ' A' ' 31' ' ' PHE . 5.3 t -64.35 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.35 -15.37 60.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -83.44 -57.35 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.437 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 91.3 m-85 -75.4 -6.86 52.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -68.15 -10.93 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 58.9 p -54.18 -51.7 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.7 -174.58 23.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 65' ' ' ILE . 10.7 mt -126.26 151.62 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -111.31 121.32 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.88 -173.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.03 -22.54 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 m -72.94 -21.74 60.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.52 6.73 21.35 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.161 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.02 151.91 21.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.86 159.15 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.503 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.5 t -132.4 158.86 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -142.57 151.61 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.794 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -105.29 94.4 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -44.81 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -148.58 145.88 21.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -74.98 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 30.5 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.401 ' CD1' ' HZ ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.86 100.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.6 m-70 -69.45 -33.91 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.24 -119.64 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -96.52 83.96 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.99 140.25 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -79.41 129.05 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.22 -62.3 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.0 6.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -66.09 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.53 -55.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.47 -48.19 26.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -70.69 -40.14 73.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.5 mp -60.33 -59.58 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 mt -51.19 -40.46 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.28 -49.73 58.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.29 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 102.31 -32.93 6.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 30' ' ' THR . 93.0 mt-10 -38.05 115.67 0.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.92 23.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 18.3 m95 72.84 50.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 6.4 m -118.3 119.35 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.787 ' CB ' HG22 ' A' ' 47' ' ' VAL . 4.8 p90 -106.76 170.48 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 32' ' ' LEU . 3.7 pp -167.18 136.73 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.0 t -96.49 124.63 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.853 HH21 HG11 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.66 142.17 27.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 150.36 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.7 130.42 34.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -77.55 -35.85 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.57 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -112.27 97.43 39.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -26.5 7.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -94.84 176.78 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.93 160.56 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.853 HG11 HH21 ' A' ' 34' ' ' ARG . 52.6 t -122.97 147.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.6 tp -123.71 93.95 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.9 m -88.39 119.39 28.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.787 HG22 ' CB ' ' A' ' 31' ' ' PHE . 48.8 t -120.62 133.78 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.1 tp -84.33 126.03 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.12 159.08 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.412 ' CG ' ' CZ2' ' A' ' 29' ' ' TRP . 4.8 p-10 -91.03 25.84 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -118.08 113.16 37.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.626 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -91.64 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.44 -27.13 7.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.68 -127.36 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.01 5.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.25 -1.07 46.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.4 p -110.35 153.67 43.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 141.45 26.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.626 HD23 ' CA ' ' A' ' 52' ' ' PRO . 90.8 mt -77.72 125.8 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -44.08 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 48' ' ' LEU . 84.2 t -120.49 150.6 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -127.16 114.01 17.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 43.7 m-70 -99.38 111.28 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -99.44 93.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -53.35 147.99 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.3 t -127.57 110.93 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 mtm -88.59 123.37 33.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 24.4 t -102.36 95.94 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -122.35 133.41 54.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.83 23.86 61.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 -11.25 61.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -92.49 155.97 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 69' ' ' CYS . 74.9 m-85 -116.38 145.09 43.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.02 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.93 7.16 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 17.68 6.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.09 174.2 15.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.14 133.1 54.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 3.1 p -127.52 176.82 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -149.55 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.56 -43.9 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -125.47 153.25 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.72 -30.81 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -60.37 -44.23 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -18.05 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.6 tt -83.53 -49.16 9.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 31' ' ' PHE . 13.9 t -69.32 -37.98 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.29 -6.72 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -89.12 -52.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.648 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -81.6 -7.51 59.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -65.49 -12.65 54.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -64.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.9 p -52.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.25 174.46 18.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 65' ' ' ILE . 5.5 mt -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.04 130.56 36.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.11 161.55 21.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.38 -15.73 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -81.82 -18.94 42.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.45 29.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.45 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.27 153.63 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.514 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 98.1 t -129.34 148.63 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -132.24 151.95 51.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -101.53 84.39 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -26.53 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -178.15 160.16 1.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.5 Cg_endo -75.02 169.3 22.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.3 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.633 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 32.7 t80 -49.94 102.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.7 m-70 -83.43 -26.33 30.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.627 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.13 -113.69 4.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 92.87 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.569 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' SER . 13.1 tpp -120.75 147.94 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 13.5 t -80.72 142.12 34.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -56.27 -64.3 4.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.73 -29.91 2.11 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.766 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -70.64 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' ' NH1' ' A' ' 34' ' ' ARG . . . -38.13 -49.17 1.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -52.42 -48.92 65.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -68.93 -43.57 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.8 mp -57.21 -56.39 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 46' ' ' SER . 36.8 mt -53.1 -48.27 67.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.11 -50.44 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.66 -39.99 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -53.0 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.39 -25.18 21.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.829 ' O ' HD23 ' A' ' 48' ' ' LEU . 99.1 mt-10 -38.42 112.42 0.67 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 128.58 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.8 m95 79.37 56.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 75.9 m -125.62 118.61 26.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.824 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -107.06 165.97 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -165.06 134.65 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.633 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.7 t -96.57 129.27 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 3.5 ptt-85 -146.62 136.65 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.68 129.27 40.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 133.88 54.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -35.49 17.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 m -74.43 -32.17 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.11 100.45 33.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -24.67 8.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.99 -176.79 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -144.29 155.33 43.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.23 145.2 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -114.67 109.65 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.82 108.41 19.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 31' ' ' PHE . 99.4 t -110.56 135.11 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.1 tp -85.94 126.7 34.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 160.12 14.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.62 22.7 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -111.19 109.3 56.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.01 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -92.42 -45.13 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.18 -26.7 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.52 -126.5 4.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 124.93 8.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.44 -0.57 63.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.6 p -108.12 153.98 41.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.39 27.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 61.0 mt -80.74 126.43 31.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -45.52 164.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.2 t -129.52 147.23 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.55 130.44 53.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.29 109.17 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -97.84 93.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -54.9 134.7 48.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.93 104.61 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.544 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -72.3 118.24 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.2 t -107.06 93.84 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.58 141.23 51.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.84 37.22 51.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.63 71.41 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 34.0 m-85 -101.8 139.86 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -154.75 143.66 20.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.62 7.0 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 4.23 19.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.0 176.34 21.93 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 mm? -62.26 -56.85 14.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.98 144.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -137.65 -172.87 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.528 ' CG ' ' C ' ' A' ' 81' ' ' THR . 11.7 m-85 -160.42 170.6 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.73 -37.26 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -125.39 150.7 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.8 mm? -59.18 -32.92 70.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.2 m -60.66 -45.78 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.414 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -16.79 63.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.578 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.0 tt -89.36 -50.12 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -64.63 -42.33 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.43 -6.87 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -93.16 -49.69 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -83.28 -6.91 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.94 -8.34 36.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -62.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 95' ' ' THR . 49.3 p -51.7 -45.8 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.24 -176.29 32.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 65' ' ' ILE . 12.2 mt -128.15 150.25 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 22.7 tt0 -112.83 132.3 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.17 169.2 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 -17.39 50.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -18.44 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.97 -23.09 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.77 152.5 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.5 m-85 -109.48 147.83 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 60.4 t -119.25 162.45 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.442 ' N ' HG12 ' A' ' 105' ' ' VAL . 29.5 m-85 -147.27 148.96 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.824 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -98.74 95.82 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -50.11 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -145.87 141.48 16.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 166.41 29.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 43.2 t80 -50.68 101.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.609 ' CD2' HD13 ' A' ' 32' ' ' LEU . 87.2 m-70 -80.84 -33.29 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.16 -109.3 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.552 ' CD2' HD21 ' A' ' 37' ' ' LEU . 2.3 t-160 -97.83 92.38 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.0 ttm -119.02 155.55 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -100.69 125.56 47.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -37.53 -64.03 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.53 -35.68 5.64 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.752 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.54 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.723 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.22 -52.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -47.38 -49.57 24.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.82 -40.63 72.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -59.73 -56.92 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.695 ' HB3' HD13 ' A' ' 48' ' ' LEU . 31.2 mt -52.43 -39.55 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -71.11 -43.46 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.25 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -55.72 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 95.41 -29.25 9.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 48' ' ' LEU . 55.8 mt-10 -38.33 115.85 0.87 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.0 136.96 21.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.84 50.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 111' ' ' TYR . 9.7 m -118.35 117.69 29.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -107.52 168.18 9.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -165.94 136.0 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.665 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.8 t -96.7 134.48 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.533 HH21 HG11 ' A' ' 44' ' ' VAL . 36.8 ptt85 -146.59 142.65 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 tt0 -67.15 137.64 56.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 136.81 49.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 12' ' ' HIS . 83.4 mt -96.08 -22.89 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.92 -26.83 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -137.35 120.81 11.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 110.9 3.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.89 -41.37 1.81 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' CG ' ' SG ' ' A' ' 69' ' ' CYS . 1.0 OUTLIER -71.85 169.97 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 59.8 m-85 -140.82 159.85 41.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.533 HG11 HH21 ' A' ' 34' ' ' ARG . 60.8 t -119.52 140.97 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -116.6 102.54 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.1 m -96.3 110.98 23.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.721 HG22 ' CB ' ' A' ' 31' ' ' PHE . 71.4 t -113.86 129.25 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.4 tp -81.2 123.43 28.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -89.06 160.55 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -92.55 24.12 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -114.2 110.13 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.63 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.07 173.39 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -94.03 -43.98 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.22 -27.04 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.38 -126.26 5.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.43 1.63 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.5 p -113.89 153.85 46.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.28 32.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' CA ' ' A' ' 52' ' ' PRO . 88.3 mt -81.82 127.08 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.84 149.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.424 HG21 ' HA ' ' A' ' 19' ' ' GLU . 87.4 t -111.83 151.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -128.56 119.02 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 63.5 m-70 -100.82 106.66 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.03 98.72 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -61.37 133.72 56.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.77 111.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.2 mpp? -75.57 106.42 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.405 ' SG ' ' CG ' ' A' ' 42' ' ' ASP . 14.3 p -94.13 93.07 7.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.48 137.49 53.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.27 52.45 32.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.21 28.26 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -132.5 148.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -108.96 142.66 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.81 150.43 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.03 6.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' HE2' ' A' ' 68' ' ' MET . . . 114.4 18.09 6.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.96 176.83 16.71 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.72 -32.47 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.82 136.28 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.8 p -128.68 -178.23 4.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.804 ' CD2' HD12 ' A' ' 88' ' ' LEU . 24.3 m-85 -155.2 165.13 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.41 -41.23 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 p -124.53 153.43 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.37 -31.93 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -59.7 -53.54 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.34 -15.62 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.804 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.6 tt -91.14 -53.55 4.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 31' ' ' PHE . 11.1 t -62.15 -45.38 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.97 -7.76 38.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -93.86 -52.03 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.406 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 61.3 m-85 -80.56 -7.18 59.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -63.77 -12.96 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -63.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 45.6 p -53.05 -23.37 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 -174.12 40.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 65' ' ' ILE . 15.5 mt -124.22 149.99 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 tt0 -108.95 124.29 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -77.8 178.78 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.46 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -13.39 62.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.14 22.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.71 152.32 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.2 m-85 -108.6 151.45 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG1' HG11 ' A' ' 47' ' ' VAL . 45.0 t -120.55 165.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.482 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 54.9 m-85 -149.11 142.45 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.872 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -93.08 87.19 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -70.87 -57.85 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -139.04 141.19 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.04 156.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 72.4 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -46.34 -58.38 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 p -117.3 169.56 9.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.17 -157.18 31.71 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.32 87.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m 46.3 91.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.25 55.98 0.74 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -106.9 -31.73 8.22 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 55.3 t80 -54.92 106.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CD2' HD13 ' A' ' 32' ' ' LEU . 93.0 m-70 -90.9 15.88 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 82.24 -94.6 1.7 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.9 82.99 1.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.743 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.859 ' HE3' HD22 ' A' ' 21' ' ' LEU . 2.5 tpp -90.29 158.31 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.67 130.13 44.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.67 -63.86 0.95 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.34 -42.1 25.09 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.769 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -60.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 110.291 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.84 -52.78 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.607 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -46.72 -49.96 18.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -69.51 -43.6 72.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.859 HD22 ' HE3' ' A' ' 13' ' ' MET . 2.5 mp -57.8 -56.15 25.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 46' ' ' SER . 23.5 mt -55.71 -43.91 76.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -64.07 -43.73 94.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.88 -39.44 54.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -52.12 9.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.61 -13.56 62.14 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.778 ' O ' HD23 ' A' ' 48' ' ' LEU . 68.2 mt-10 -50.31 114.62 4.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.98 132.88 15.96 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.523 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 21.4 m95 74.8 52.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.535 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.0 m -121.89 119.2 30.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.743 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -107.42 167.25 10.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 111' ' ' TYR . 1.0 OUTLIER -165.79 141.52 5.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 11.9 t -96.68 132.2 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -146.33 134.39 21.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.496 ' HG2' ' CE1' ' A' ' 43' ' ' PHE . 15.6 mt-10 -66.25 133.73 51.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.69 107.21 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.4 -38.22 90.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -31.74 62.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -115.7 95.97 45.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.44 5.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.48 -31.45 6.17 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.12 -173.46 2.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 35' ' ' GLU . 64.5 m-85 -149.9 163.89 36.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' NH2' ' A' ' 34' ' ' ARG . 99.1 t -125.97 143.22 40.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.6 tp -119.61 99.91 6.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -91.07 121.03 32.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.724 HG22 ' CB ' ' A' ' 31' ' ' PHE . 77.2 t -119.21 134.57 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.4 tp -84.61 126.03 32.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.06 158.88 15.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -91.45 23.08 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -111.6 109.99 55.48 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.628 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.95 173.1 15.08 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -93.5 -44.24 8.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.568 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.36 -26.81 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.67 -126.76 5.6 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.63 4.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.91 -1.97 38.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.568 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.2 p -109.48 152.95 43.03 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 142.85 28.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.628 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.0 mt -78.7 126.61 30.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.01 167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.7 t -130.06 147.79 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -124.77 117.56 24.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 92.1 m-70 -94.48 109.3 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.98 92.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -55.96 151.93 10.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.8 t -121.16 114.54 43.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.505 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.9 mtm -87.1 103.91 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.4 p -88.02 93.97 9.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 108.296 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.44 140.28 52.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.95 47.25 66.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 53.45 24.6 24.21 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -132.13 150.93 52.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 110.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 35.1 m-85 -108.19 143.95 36.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.1 t -155.75 147.98 23.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.444 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.448 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.8 m -92.78 7.15 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.19 -0.02 20.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.12 176.16 38.71 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.74 -29.75 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 0.0 109.254 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -72.76 144.9 47.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.547 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.4 p -132.92 -174.99 3.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 110.425 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.747 ' CD1' HD12 ' A' ' 88' ' ' LEU . 23.9 m-85 -160.97 165.02 30.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.07 -41.02 8.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -124.67 148.39 48.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.6 mm? -55.7 -25.16 38.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -65.22 -51.88 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -65.41 -13.09 57.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.747 HD12 ' CD1' ' A' ' 82' ' ' PHE . 9.4 tt -93.38 -54.91 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -60.3 -50.96 78.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.4 -19.41 55.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -82.21 -54.82 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.1 m-85 -76.26 -7.27 54.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -64.68 -16.81 63.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.24 -62.68 1.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.418 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 44.5 p -53.26 -23.96 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.31 -171.03 44.02 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.0 mt -129.33 155.5 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.749 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -116.43 129.89 56.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.96 -173.9 4.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.91 -24.99 16.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.63 -7.2 42.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.64 59.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.63 152.78 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -106.36 156.65 18.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 96.6 t -130.63 154.48 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -138.93 141.47 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.743 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -91.67 79.71 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -57.48 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -142.35 145.27 34.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.01 170.35 20.61 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.612 ' CD2' HD22 ' A' ' 32' ' ' LEU . 25.5 t80 -97.55 118.95 35.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -86.91 -38.04 17.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.514 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 15.3 p 58.55 167.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.18 -179.06 15.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -62.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.494 1.787 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.6 m -81.75 150.25 28.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.7 t -114.1 -60.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -129.94 -60.12 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 0.732 . . . . 0.0 109.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.1 p -81.51 86.82 6.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.81 -90.04 0.44 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 40.14 86.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m 71.5 -61.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.17 -84.66 0.3 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.607 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -41.97 -43.3 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.402 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 49.1 t80 -51.07 101.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 95.3 m-70 -90.17 -14.29 33.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.72 -122.24 7.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.562 1.163 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -101.14 81.64 2.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.763 . . . . 0.0 109.578 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.414 ' HE3' HD22 ' A' ' 21' ' ' LEU . 6.9 tpp -97.42 148.26 23.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.941 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.69 -64.13 1.09 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.24 -35.7 14.91 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.77 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -61.12 -61.65 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 0.74 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -39.09 -55.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.6 mt-10 -44.36 -48.88 9.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -71.47 -41.44 69.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.389 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -58.93 -54.1 50.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.677 ' HB3' HD13 ' A' ' 48' ' ' LEU . 18.6 mt -57.11 -43.4 82.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.92 -49.33 70.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.07 -36.66 5.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -62.08 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 100.8 -29.56 12.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 63.3 mt-10 -38.42 114.22 0.78 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.95 136.19 20.18 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.673 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 22.9 m95 74.1 52.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.7 m -122.0 120.58 34.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.836 ' CG ' HD23 ' A' ' 107' ' ' LEU . 4.4 p90 -107.75 166.55 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 32' ' ' LEU . 2.1 pp -166.74 140.99 4.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.598 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 15.8 t -96.38 132.66 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -146.09 135.02 22.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.08 137.24 57.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.94 114.47 17.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 mp -70.36 -44.25 68.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -33.04 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -120.77 96.2 48.8 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 111.21 3.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.54 1.811 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.12 -34.37 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -94.83 -176.95 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -142.72 153.12 43.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.445 HG21 ' NH2' ' A' ' 34' ' ' ARG . 47.2 t -114.14 145.04 20.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.619 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.4 tp -121.06 95.8 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 m -89.14 115.0 26.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.812 HG22 ' CB ' ' A' ' 31' ' ' PHE . 38.1 t -115.76 137.6 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.677 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.8 tp -86.11 135.4 33.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 p -100.92 161.45 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -91.12 18.07 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -108.93 106.28 58.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.636 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.01 168.12 25.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -85.65 -45.93 11.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.74 -27.27 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 111.14 -73.22 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 129.24 12.16 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.943 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 38.28 38.88 0.65 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 52' ' ' PRO . 48.9 p -108.74 148.46 37.85 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 133.9 17.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.572 1.827 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD23 ' CA ' ' A' ' 52' ' ' PRO . 76.2 mt -77.35 125.39 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -46.8 148.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG21 ' HA ' ' A' ' 19' ' ' GLU . 99.7 t -111.61 149.98 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.601 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -124.28 111.68 16.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 72.6 m-70 -91.73 104.02 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.582 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.74 93.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -58.03 145.88 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.59 103.61 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.0 mtm -74.9 122.85 24.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 30.7 t -109.29 94.37 5.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.336 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -128.69 143.05 50.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.24 36.74 53.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.19 24.83 67.62 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mtt85 -125.47 142.86 51.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.76 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -108.82 139.82 43.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 t -156.23 151.48 26.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.42 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.86 6.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.76 30.45 2.36 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.463 1.102 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -129.42 177.06 18.24 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.7 -47.63 74.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.02 147.61 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.44 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 6.8 p -139.95 -179.12 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.338 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' CG ' ' C ' ' A' ' 81' ' ' THR . 24.0 m-85 -155.57 170.74 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -108.09 -38.51 5.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.7 m -118.34 143.85 46.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -40.95 73.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.2 m -56.43 -44.95 80.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -64.25 -22.68 67.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.663 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.5 tt -86.38 -46.65 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -68.22 -42.98 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.37 -6.21 41.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -92.16 -48.13 6.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.61 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.404 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 43.7 m-85 -84.31 -7.19 59.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -67.26 -11.4 57.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.92 -62.67 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 95' ' ' THR . 50.9 p -52.14 -46.47 65.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.395 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.07 174.7 37.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.059 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.647 HD13 HD13 ' A' ' 65' ' ' ILE . 8.4 mt -114.06 143.78 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 21.2 tt0 -106.11 117.96 35.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -174.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -102.73 5.35 38.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.8 t -102.38 -4.31 25.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.33 -20.83 43.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.75 155.07 28.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.2 m-85 -112.13 149.03 32.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.673 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 37.3 t -118.62 147.56 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -131.43 145.78 51.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.5 mp -94.94 64.79 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -47.17 -34.14 5.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -169.42 160.13 7.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.312 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.94 178.34 7.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 6.6 t80 -88.36 -18.07 29.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.424 ' CE1' ' HG2' ' A' ' 110' ' ' PRO . 4.6 m-85 56.95 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.442 1.089 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 111' ' ' TYR . 7.4 t 74.59 140.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.64 -152.92 14.45 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -40.04 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.504 1.791 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.5 m 63.64 158.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.58 -68.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.946 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -174.08 155.21 2.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.8 166.36 11.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.038 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.1 159.44 2.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.21 125.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 p -113.34 70.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.49 68.03 0.41 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.495 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -106.12 -30.44 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -54.93 103.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.78 ' CD2' HD13 ' A' ' 32' ' ' LEU . 92.4 m-70 -83.96 -33.97 24.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.44 -141.1 15.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.654 ' CD2' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -69.28 91.95 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.3 tpp -111.36 154.57 24.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 17' ' ' GLN . 3.3 m -99.12 124.57 44.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.977 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.07 -64.4 0.8 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.71 -34.53 7.02 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.74 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.8 -65.18 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.92 -56.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.0 mt-10 -44.72 -48.07 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -72.38 -42.35 65.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.74 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.44 -55.95 28.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' A' ' 48' ' ' LEU . 27.0 mt -54.84 -38.63 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -69.55 -37.41 77.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.79 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.33 -56.07 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -11.24 72.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.677 ' O ' HD23 ' A' ' 48' ' ' LEU . 1.8 mp0 -56.4 119.54 29.01 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.05 134.31 17.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.9 m95 74.04 42.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 108.022 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 24.8 m -106.34 116.69 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.822 ' CE2' HG11 ' A' ' 89' ' ' VAL . 8.3 p90 -107.04 167.34 9.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.049 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.78 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.5 pp -166.54 136.03 3.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.2 t -97.1 134.13 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.7 ptt85 -146.05 160.27 42.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -80.56 130.96 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.18 138.88 47.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD21 ' CD2' ' A' ' 12' ' ' HIS . 85.3 mt -95.73 -43.93 7.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.52 -5.65 34.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -144.14 107.0 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.485 1.782 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 118.63 -40.9 2.15 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.85 177.65 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CE1' ' O ' ' A' ' 41' ' ' GLY . 81.7 m-85 -143.57 162.05 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.8 t -122.52 143.41 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 HD21 ' A' ' 107' ' ' LEU . 46.2 tp -121.6 92.32 3.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -82.82 117.6 22.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 31' ' ' PHE . 54.1 t -118.52 132.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.87 131.65 35.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 p -94.65 157.22 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.81 16.69 6.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -108.56 107.64 60.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.632 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.94 173.46 14.45 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.533 1.807 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.457 ' CG ' ' HD2' ' A' ' 61' ' ' ARG . 15.6 mtpt -89.93 -45.64 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.543 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -117.07 -27.16 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.79 -122.89 4.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.41 3.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.48 6.44 41.32 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.543 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 95.9 p -114.39 153.67 46.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.958 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.43 24.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.632 HD23 ' CA ' ' A' ' 52' ' ' PRO . 46.5 mt -79.38 122.79 26.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.457 ' HD2' ' CG ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -40.87 150.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 19' ' ' GLU . 93.7 t -114.3 145.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -125.95 119.26 27.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 45.0 m-70 -100.58 110.93 23.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 92.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -55.3 150.26 11.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 78.1 t -121.32 133.74 66.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.461 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 16.3 mtm -102.56 111.67 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.6 p -95.84 93.3 6.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.31 129.17 51.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 53.4 38.03 56.75 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.5 21.17 70.45 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.59 130.71 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.49 ' CD2' HD22 ' A' ' 85' ' ' LEU . 22.9 m-85 -96.9 137.16 36.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.431 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.5 151.06 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 ' C ' ' HE3' ' A' ' 68' ' ' MET . 2.6 m -94.43 7.23 6.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.403 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.21 12.4 9.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.88 177.08 19.11 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -66.04 -53.18 41.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.354 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.56 143.6 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.574 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 2.6 p -132.84 -174.46 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.917 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.6 m-85 -157.79 144.12 17.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -80.88 -31.61 35.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -133.59 159.93 38.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 HD22 ' CD2' ' A' ' 74' ' ' TYR . 3.6 mm? -64.16 -25.95 68.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.7 m -65.3 -51.21 62.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -12.5 49.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.917 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.5 tt -91.77 -51.02 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.822 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.2 t -65.01 -52.36 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.36 -13.01 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 t60 -86.1 -50.99 6.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -83.8 -6.49 59.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' CD ' HG12 ' A' ' 89' ' ' VAL . 1.2 mtpp -67.68 -8.74 37.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.98 -62.93 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 44.3 p -50.98 -51.98 47.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 100.22 175.56 30.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 10.3 mt -119.49 154.72 22.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.766 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -117.5 120.84 39.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.77 -174.81 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.13 -18.02 20.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.7 p -77.61 -1.59 31.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.09 14.96 58.36 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.49 154.68 21.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -109.71 147.57 32.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.5 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.4 t -122.61 159.29 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -142.77 150.44 40.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.699 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -99.92 94.62 6.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.467 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 40.0 mtp180 -76.37 -57.59 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -140.71 143.49 32.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.01 168.43 24.86 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 31.8 t80 -97.12 130.69 44.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -114.87 116.58 28.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -96.46 135.61 38.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -170.55 69.48 0.13 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.63 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.5 t -58.8 110.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.2 p -135.66 140.7 44.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.477 1.111 . . . . 0.0 110.972 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 t -156.11 -62.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t 65.14 103.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.74 -72.2 0.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 p -53.86 148.83 9.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' HB2' ' CE2' ' A' ' 8' ' ' TRP . 80.5 p -42.28 142.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.22 50.91 0.42 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -114.89 -40.58 3.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -51.24 101.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.3 m-70 -81.12 -23.93 38.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.76 -113.98 4.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.32 92.28 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.736 . . . . 0.0 109.635 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 45.7 ttm -115.44 141.39 48.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.009 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.2 128.24 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.044 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.02 -64.15 2.05 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -49.45 -36.02 22.78 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.764 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.01 -59.62 4.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.325 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.63 -48.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -49.99 -52.12 36.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.4 m -67.97 -41.27 82.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -59.29 -56.68 19.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 46' ' ' SER . 17.7 mt -56.05 -42.71 77.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.7 mt-30 -65.6 -41.21 93.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.12 -36.06 60.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -53.67 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.73 -32.93 5.47 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 48' ' ' LEU . 73.7 mt-10 -38.49 114.94 0.84 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.03 139.95 24.79 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.4 m95 73.7 46.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.015 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 27.9 m -114.1 116.98 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.855 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.7 p90 -107.31 165.79 11.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.62 138.69 3.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 7.8 t -96.88 134.73 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -146.22 145.45 30.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -74.91 125.53 29.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 135.75 57.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mp -90.76 -41.32 11.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.9 m -74.38 -23.23 58.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -125.81 101.95 29.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.53 -32.14 3.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -87.8 175.06 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 13.1 m-85 -139.28 158.81 43.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.4 t -122.95 142.56 39.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.9 tp -119.43 97.11 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.0 m -90.14 113.6 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.75 HG22 ' CB ' ' A' ' 31' ' ' PHE . 62.9 t -114.03 125.99 71.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.6 tp -76.42 122.94 25.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.95 165.53 13.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -96.33 24.72 5.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -111.67 109.64 55.5 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.598 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -75.06 169.49 22.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -89.39 -44.75 9.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.02 -27.06 7.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.93 -125.39 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.569 1.168 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.82 5.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.34 4.14 55.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 66.4 p -113.47 153.1 45.77 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.449 0.735 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -75.03 139.88 24.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.5 mt -77.88 125.89 30.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -45.2 160.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 19' ' ' GLU . 96.9 t -121.15 147.14 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -120.41 111.3 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 110.368 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -92.87 105.9 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.6 mp -96.99 98.7 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -62.19 140.14 58.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 37.1 t -112.55 105.1 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.454 ' HB2' HG23 ' A' ' 75' ' ' THR . 19.6 mtm -74.52 122.95 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 t -109.22 93.53 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 108.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.05 143.86 50.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 50.91 32.34 26.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.16 24.53 74.7 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -125.13 142.35 51.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -103.85 138.35 40.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.3 t -156.04 147.22 22.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -91.66 6.62 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.01 23.66 4.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.72 176.83 16.44 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -65.66 -48.09 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 150.44 6.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 3.3 p -141.13 -179.78 6.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CG ' ' C ' ' A' ' 81' ' ' THR . 30.8 m-85 -154.71 164.89 38.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.99 -41.15 7.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.6 m -124.11 144.66 49.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -52.22 -29.1 21.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.4 m -62.08 -52.84 62.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -16.33 61.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.8 tt -88.03 -49.8 6.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 31' ' ' PHE . 42.0 t -67.36 -38.56 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.29 -6.35 42.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -91.97 -54.48 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.569 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 81.3 m-85 -79.2 -7.0 57.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.45 ' CD ' HG12 ' A' ' 89' ' ' VAL . 12.9 mtpt -64.52 -12.07 40.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -62.75 1.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.1 p -52.75 -28.47 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.455 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.79 -174.43 54.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.504 HD13 HD13 ' A' ' 65' ' ' ILE . 11.1 mt -126.39 147.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 0.752 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -105.85 132.42 51.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -91.11 174.33 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -85.3 -11.74 54.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.9 p -92.54 28.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 57.37 17.17 24.19 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.59 154.4 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.39 149.39 32.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 94.5 t -126.91 151.24 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -136.75 149.86 48.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.855 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -98.14 92.8 5.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -58.61 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -138.87 141.82 31.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.467 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 29.2 t80 -97.5 122.75 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -91.19 -41.78 10.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t 69.99 -70.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.67 173.54 45.63 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.62 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.48 1.779 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 49.8 m -45.14 156.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.72 -58.22 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -170.95 119.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -157.83 -55.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.502 1.127 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.76 139.64 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -76.6 143.83 39.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER -69.67 -175.1 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.83 70.86 0.42 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -103.67 -22.61 13.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 73.2 t80 -57.14 99.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.483 ' CD2' HD13 ' A' ' 32' ' ' LEU . 85.4 m-70 -72.39 -19.87 61.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 106.62 -125.3 8.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' OE1' ' A' ' 35' ' ' GLU . 1.8 m80 -98.42 87.13 3.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.629 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.7 tpp -105.29 151.37 24.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -87.71 139.14 30.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' N ' ' NH1' ' A' ' 34' ' ' ARG . . . -49.96 -64.23 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.54 -30.46 4.53 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.75 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -72.23 -64.3 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.294 -179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.07 -44.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -56.43 -50.98 70.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -67.42 -40.54 85.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.422 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.75 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -59.33 -57.59 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 46' ' ' SER . 27.3 mt -53.52 -42.73 67.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.42 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.0 mt-30 -68.55 -34.87 76.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -60.2 -30.76 69.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -54.01 5.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.67 -24.43 26.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.753 ' O ' HD23 ' A' ' 48' ' ' LEU . 29.2 mt-10 -44.96 114.7 2.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.97 133.05 16.16 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.8 m95 76.3 45.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 108.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 91.8 m -112.62 119.04 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.833 ' CE2' HG11 ' A' ' 89' ' ' VAL . 9.2 p90 -107.29 167.24 10.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -164.32 139.84 5.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.681 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.5 t -96.66 128.88 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.875 HH21 HG11 ' A' ' 44' ' ' VAL . 3.6 ptt180 -146.53 142.4 27.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 1.2 tt0 -72.64 149.17 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 123.51 30.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.31 -30.58 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.43 -34.69 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.4 mp0 -116.73 100.27 53.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.5 -34.99 3.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -81.84 -176.32 6.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -148.63 154.09 39.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.875 HG11 HH21 ' A' ' 34' ' ' ARG . 45.8 t -118.52 147.73 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 56.7 tp -124.33 95.71 4.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.627 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.1 t -88.61 117.97 27.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.661 HG22 ' CB ' ' A' ' 31' ' ' PHE . 74.2 t -116.37 134.21 60.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.8 tp -85.28 124.82 32.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.14 160.54 15.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -91.98 23.82 3.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -113.32 110.76 50.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.563 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 171.37 18.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.534 1.807 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -92.03 -44.32 8.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.08 -27.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.94 -131.2 6.53 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 111.66 3.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.29 -19.05 10.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 77.2 p -99.65 153.79 37.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 144.39 30.17 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.563 HD23 ' CA ' ' A' ' 52' ' ' PRO . 38.4 mt -76.68 130.67 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -46.61 168.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 19' ' ' GLU . 90.6 t -127.97 151.86 35.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 m -129.02 112.33 13.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.41 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -90.55 104.98 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.619 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.825 HG12 HG21 ' A' ' 97' ' ' ILE . 2.2 mp -90.62 92.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.73 147.24 23.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.373 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.2 t -121.06 116.28 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.494 ' HB2' HG23 ' A' ' 75' ' ' THR . 11.3 mtm -85.61 104.11 15.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.16 95.16 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.04 135.62 50.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.67 41.22 89.68 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.55 14.21 48.65 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -117.03 149.86 39.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 0.8 . . . . 0.0 110.268 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -113.14 140.8 47.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.518 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.72 150.45 26.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' C ' ' HE3' ' A' ' 68' ' ' MET . 3.0 m -92.28 4.33 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.52 29.59 2.44 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.21 172.88 19.12 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.6 -37.68 88.26 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 0.769 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.39 141.95 58.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.518 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -136.8 -178.41 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CD2' HD12 ' A' ' 88' ' ' LEU . 29.2 m-85 -154.86 159.74 40.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -88.21 -43.05 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -123.69 161.2 25.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.979 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.51 -23.94 66.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.9 m -66.88 -46.07 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.424 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.07 -11.21 60.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.664 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.2 tt -94.61 -51.51 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.833 HG11 ' CE2' ' A' ' 31' ' ' PHE . 55.7 t -63.47 -41.93 94.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -69.64 -12.87 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -86.32 -51.7 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -81.21 -6.44 58.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' CD ' HG12 ' A' ' 89' ' ' VAL . 23.2 mtpt -67.25 -9.39 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 95' ' ' THR . 44.7 p -50.97 -56.23 13.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.11 178.33 24.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.123 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.825 HG21 HG12 ' A' ' 65' ' ' ILE . 6.6 mt -124.46 136.09 61.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -95.25 129.07 42.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -80.33 168.61 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.6 -12.42 60.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 p -84.44 -17.34 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.92 -19.83 24.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.67 150.62 39.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 0.738 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -101.81 159.5 15.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 89.6 t -136.39 149.23 27.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -135.26 153.3 51.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.826 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -102.94 101.42 11.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -85.63 -50.36 7.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -143.14 140.95 18.44 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.291 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.0 169.54 22.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.486 1.782 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.621 ' HD2' HD22 ' A' ' 32' ' ' LEU . 26.5 t80 -99.33 126.31 45.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -95.77 -47.8 6.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.556 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 1.7 p 60.62 165.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.87 177.68 16.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.26 24.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 50.7 m -63.18 163.11 10.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.038 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.11 -58.95 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.3 109.25 21.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 0.754 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.59 111.24 22.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.98 134.25 31.85 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -139.19 86.79 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.005 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 p 53.35 83.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.32 62.51 0.64 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.482 1.113 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -104.69 -28.17 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -57.06 102.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.607 ' HD2' HD13 ' A' ' 32' ' ' LEU . 96.7 m-70 -79.49 -23.93 42.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.05 -113.2 4.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -102.77 80.97 1.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' HE2' ' HB3' ' A' ' 10' ' ' HIS . 20.4 tpp -106.38 145.11 32.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -83.66 132.16 34.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.492 ' N ' ' NH2' ' A' ' 34' ' ' ARG . . . -43.56 -61.24 2.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -47.38 -37.35 11.98 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.757 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -61.86 -63.91 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.57 -49.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -49.93 -53.02 28.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -67.05 -38.76 86.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.6 mp -61.85 -58.21 8.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 46' ' ' SER . 14.3 mt -54.11 -46.68 72.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 78.8 mt-30 -62.73 -50.04 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.24 -37.13 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -58.63 3.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 99.11 -31.14 8.59 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.725 ' O ' HD23 ' A' ' 48' ' ' LEU . 46.3 mt-10 -38.35 113.8 0.75 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.0 136.8 20.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.541 1.811 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.3 m95 74.16 51.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 107.99 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.662 HG22 ' HB2' ' A' ' 111' ' ' TYR . 8.1 m -120.44 118.18 29.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.717 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.9 p90 -107.89 168.92 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 32' ' ' LEU . 3.4 pp -167.21 140.19 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.1 t -100.51 128.63 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' NH2' ' N ' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.13 143.27 29.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.95 138.97 58.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.327 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.484 ' OG ' ' CG2' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -80.6 117.38 21.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.036 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 14' ' ' SER . 66.2 mt -70.84 -50.31 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -63.83 -30.14 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -121.08 89.26 46.07 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 111.2 3.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.34 -12.74 6.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.12 -178.76 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -137.21 156.79 47.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 ' CG2' ' OG ' ' A' ' 36' ' ' SER . 58.6 t -117.91 145.31 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.669 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.3 tp -120.08 96.95 5.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.7 m -91.86 111.3 22.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.967 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.674 HG22 ' CB ' ' A' ' 31' ' ' PHE . 98.4 t -112.99 131.07 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.9 tp -82.63 125.37 31.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.99 161.95 14.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.91 22.5 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -111.43 111.05 55.3 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.564 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.93 174.23 13.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -94.89 -44.06 7.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.51 -26.96 8.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 130.54 -130.71 6.25 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.22 5.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 106.82 -3.57 36.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.583 1.177 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -110.31 153.82 43.2 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.934 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.424 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.99 141.57 26.82 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.454 1.765 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.564 HD23 ' CA ' ' A' ' 52' ' ' PRO . 62.3 mt -76.32 129.27 36.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.28 157.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.508 HG11 ' HG2' ' A' ' 19' ' ' GLU . 99.0 t -117.91 144.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -122.99 117.11 24.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 31.4 m-70 -98.06 109.99 22.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.59 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -96.0 94.37 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -57.1 139.0 53.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.9 t -106.7 113.61 43.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.411 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.8 mtm -80.75 116.63 20.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 49.6 t -107.49 93.96 4.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 108.299 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.51 124.76 40.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.79 36.09 91.77 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.8 20.94 68.9 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.22 132.35 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 21.9 m-85 -98.27 137.57 36.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.413 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.7 OUTLIER -155.63 145.86 21.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.409 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.47 7.19 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.12 16.67 6.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.54 176.93 17.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.26 -47.78 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.08 145.08 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 4.5 p -131.32 -172.68 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 11.4 m-85 -159.01 154.54 25.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.51 -33.17 13.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 m -126.06 147.16 49.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -56.1 -32.12 63.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.426 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 21.1 m -62.41 -53.78 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.55 -22.09 61.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.616 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.9 tt -81.24 -50.09 9.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.603 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.4 t -67.72 -45.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -61.62 -15.2 37.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -84.19 -55.24 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.627 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -79.37 -6.77 57.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -13.6 31.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.37 -63.91 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.6 p -52.75 -23.23 6.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.82 177.81 20.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.427 1.08 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.705 HD13 HD13 ' A' ' 65' ' ' ILE . 8.3 mt -113.57 152.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 24.2 tt0 -111.68 130.76 55.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -87.39 175.24 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.84 -23.23 25.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -14.93 62.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.9 -20.74 26.29 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.36 153.99 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.6 m-85 -111.5 151.36 28.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.505 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 91.1 t -120.67 151.05 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -134.32 141.57 46.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.717 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.0 OUTLIER -91.4 81.3 5.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -63.06 -52.7 61.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.538 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.45 146.35 20.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.01 165.29 31.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.662 ' HB2' HG22 ' A' ' 30' ' ' THR . 64.3 t80 -113.3 133.95 54.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -109.64 168.66 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.61 -46.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 62.66 161.84 0.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.19 82.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.2 t -163.81 151.31 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.012 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -161.48 152.39 18.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 p -143.08 163.76 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.14 -158.63 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -54.39 124.88 17.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 109.958 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' HB3' ' NE1' ' A' ' 8' ' ' TRP . 0.6 OUTLIER 51.08 -171.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.87 65.58 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.407 ' HB3' ' CB ' ' A' ' 110' ' ' PRO . 0.0 OUTLIER -106.16 -20.71 13.32 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.469 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 66.8 t80 -59.1 103.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.576 ' CD2' HD13 ' A' ' 32' ' ' LEU . 86.9 m-70 -73.28 -32.69 64.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.643 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.44 -126.4 8.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.32 81.01 8.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 0.727 . . . . 0.0 109.579 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.5 tpp -110.47 139.98 45.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 28.4 t -84.11 125.24 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.013 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.458 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -40.0 -64.47 1.09 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.051 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.85 -32.5 2.25 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.753 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -68.19 -63.14 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 0.751 . . . . 0.0 110.303 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -48.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.2 mt-10 -49.72 -52.43 31.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -68.67 -39.8 80.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.8 mp -60.43 -57.4 12.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' O ' HD22 ' A' ' 48' ' ' LEU . 24.8 mt -53.07 -37.99 62.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -71.19 -43.03 68.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.72 -40.02 26.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -54.9 5.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.14 -28.79 10.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.708 ' O ' HD23 ' A' ' 48' ' ' LEU . 67.7 mt-10 -40.64 115.44 1.21 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 138.8 23.53 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.6 m95 74.69 47.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.026 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.1 m -115.06 116.6 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.434 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.701 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.4 p90 -106.88 167.19 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.3 pp -166.72 138.93 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 t -98.73 134.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 1.7 ptm180 -146.43 166.15 27.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -92.11 136.45 33.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 110.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.68 123.56 26.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.96 -44.79 46.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -30.99 71.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.579 1.175 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -124.02 96.1 42.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 113.77 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.11 -18.94 7.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -100.34 -175.76 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -147.0 154.01 40.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' HB ' ' NH1' ' A' ' 34' ' ' ARG . 45.2 t -121.26 147.15 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 31' ' ' PHE . 51.1 tp -122.39 99.58 6.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -91.69 117.18 29.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG22 ' CB ' ' A' ' 31' ' ' PHE . 69.2 t -116.11 128.52 73.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.1 tp -79.39 119.88 23.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.13 161.66 17.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.74 19.79 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -108.77 110.56 61.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.61 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.98 175.96 10.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.6 -43.97 6.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.34 -26.78 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' N ' ' OG ' ' A' ' 58' ' ' SER . . . 124.22 -122.25 4.73 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.57 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.973 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.81 6.01 58.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.729 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 91.6 p -111.63 153.18 44.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 141.87 27.35 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.512 1.796 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.61 HD23 ' CA ' ' A' ' 52' ' ' PRO . 89.6 mt -79.85 125.51 29.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -44.9 165.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' HG2' ' A' ' 19' ' ' GLU . 90.8 t -126.8 144.11 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.2 m -120.18 116.73 26.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -96.45 112.03 23.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.58 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 97' ' ' ILE . 3.0 mp -100.92 92.86 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -54.22 150.09 8.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.8 t -128.17 106.5 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.409 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 2.6 mtm -83.34 123.74 29.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.6 t -106.6 93.43 4.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -125.49 134.76 51.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 58.4 38.46 90.72 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.06 34.83 85.39 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.2 mtt85 -137.02 139.3 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE2' HD23 ' A' ' 85' ' ' LEU . 39.6 m-85 -102.21 139.91 37.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.438 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.8 t -155.95 149.89 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' C ' ' HE3' ' A' ' 68' ' ' MET . 17.5 m -95.1 6.6 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.91 27.76 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -126.27 171.44 18.03 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.78 -43.42 98.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.769 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.47 152.87 13.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.454 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.9 p -145.91 -178.28 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.684 ' CD2' HD12 ' A' ' 88' ' ' LEU . 27.6 m-85 -157.22 159.8 38.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -38.07 12.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 m -125.29 151.91 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.032 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' A' ' 74' ' ' TYR . 1.4 mm? -59.49 -30.5 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.8 m -61.5 -49.72 75.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.86 -13.87 48.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.684 HD12 ' CD2' ' A' ' 82' ' ' PHE . 7.7 tt -91.25 -58.79 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.685 HG11 ' CE2' ' A' ' 31' ' ' PHE . 10.9 t -59.04 -42.65 86.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -68.11 -17.31 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -84.5 -47.27 10.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -84.39 -8.55 58.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -65.04 -11.74 42.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.354 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -118.99 -63.13 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 95' ' ' THR . 49.8 p -53.36 -35.67 60.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.63 -173.87 54.0 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.627 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -125.82 145.34 33.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -102.74 121.82 43.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.452 ' HG3' HG23 ' A' ' 105' ' ' VAL . 14.7 mt-10 -75.67 -177.77 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.4 -20.08 22.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -76.83 -4.95 46.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.27 -4.9 67.62 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.37 152.28 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -104.02 155.69 18.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.52 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 85.9 t -131.71 149.24 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -134.37 149.47 50.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.701 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -97.96 93.55 6.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -75.5 -50.42 15.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -149.17 146.52 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 174.17 13.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.618 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 47.1 t80 -106.56 145.61 31.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -126.36 148.85 49.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 p -111.54 155.76 22.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.92 85.43 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.562 1.164 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.64 25.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.2 t -102.57 -64.71 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.62 158.78 16.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.133 . . . . 0.0 111.029 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -77.63 80.84 4.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -59.22 -60.54 3.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.91 159.08 32.21 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.27 117.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.966 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 p -60.98 163.42 5.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.001 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.48 100.41 0.16 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.619 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -168.13 -43.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -51.17 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.532 ' CD2' HD13 ' A' ' 32' ' ' LEU . 91.2 m-70 -77.83 -26.98 49.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.584 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.4 -115.45 4.9 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.079 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -94.9 82.12 3.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.764 . . . . 0.0 109.579 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' ARG . 22.8 tpp -111.73 144.71 40.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.0 129.76 35.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.6 -64.04 2.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.03 -38.48 4.72 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.754 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -59.89 -63.11 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.82 -55.1 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -44.26 -49.13 9.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -70.92 -44.28 66.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.4 mp -56.56 -52.62 64.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.629 ' HB3' HD13 ' A' ' 48' ' ' LEU . 12.5 mt -59.06 -45.01 91.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.404 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 87.4 mt-30 -62.34 -46.47 88.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.226 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.14 -39.05 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -53.35 7.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.62 23.27 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.735 ' O ' HD23 ' A' ' 48' ' ' LEU . 94.9 mt-10 -41.46 115.62 1.41 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.459 0.74 . . . . 0.0 110.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.0 130.89 13.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.488 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.7 m95 79.16 54.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.013 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.492 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 4.2 m -122.13 116.92 25.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.763 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -107.58 168.41 9.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.96 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.6 pp -166.57 136.25 3.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.619 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 5.1 t -96.64 132.52 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.06 143.67 29.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 2.0 tt0 -70.46 138.74 51.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.1 111.65 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.997 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.15 -51.2 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.91 -29.93 71.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -121.83 93.01 48.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.67 -11.97 7.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -114.64 -178.04 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 35' ' ' GLU . 97.2 m-85 -144.14 155.63 44.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.7 t -120.1 144.29 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.364 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 31' ' ' PHE . 13.7 tp -120.28 106.6 12.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -101.07 109.68 21.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 31' ' ' PHE . 90.1 t -108.86 134.37 51.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.735 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.0 tp -84.36 125.9 32.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -94.14 158.52 15.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -89.53 16.73 7.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -106.57 108.98 62.8 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.65 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 174.73 12.26 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.527 1.804 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mtpm? -93.83 -44.31 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.552 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.46 -26.87 7.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.63 -127.6 5.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.15 3.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 109.7 1.01 30.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.552 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 82.0 p -113.11 154.0 45.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 140.44 25.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.05 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.65 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.1 mt -76.79 126.25 30.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 160.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HG2' ' A' ' 19' ' ' GLU . 88.2 t -124.95 148.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -124.63 118.97 27.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.422 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 40.6 m-70 -99.8 113.31 25.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.634 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 97' ' ' ILE . 3.1 mp -99.86 92.67 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -58.84 120.49 9.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -88.26 125.51 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.434 ' HB2' HG23 ' A' ' 75' ' ' THR . 18.5 mtm -93.47 113.15 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 29.4 t -102.5 93.69 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.45 130.35 47.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.14 32.54 84.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.69 24.32 74.05 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -125.83 138.21 53.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.25 136.75 41.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.572 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.2 t -155.49 147.34 23.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' A' ' 65' ' ' ILE . 3.0 m -92.8 7.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.86 14.55 7.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -109.64 176.32 19.34 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.79 -37.93 76.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.06 144.09 57.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.572 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -136.2 -177.16 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 81' ' ' THR . 20.9 m-85 -156.07 164.15 38.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -96.89 -37.94 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 p -124.96 146.91 49.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.021 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.59 -27.18 47.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 52.9 m -64.25 -49.03 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -16.21 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.7 tt -85.09 -52.35 6.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 31' ' ' PHE . 14.5 t -67.03 -38.9 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.85 -10.36 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.29 -57.31 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.643 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.413 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 88.8 m-85 -75.26 -7.17 53.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.22 -14.64 51.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -63.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 95' ' ' THR . 46.7 p -52.18 -42.24 63.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.02 -176.29 48.84 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD13 HD13 ' A' ' 65' ' ' ILE . 5.6 mt -121.64 155.15 25.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.4 tt0 -113.2 132.34 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -82.07 178.28 8.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.93 -15.39 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.5 p -81.44 -13.39 58.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 110.06 -20.48 26.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.509 1.13 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.86 153.15 36.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 4.9 m-85 -110.8 154.61 23.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.488 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 82.6 t -126.16 150.9 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -135.91 149.01 48.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.763 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.3 OUTLIER -99.98 86.12 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 18.0 mtp-105 -69.98 -44.69 68.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.492 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -150.72 146.74 19.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.492 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.05 -175.58 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 68.5 t80 -121.82 139.86 53.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 18.3 m-85 -120.55 154.17 35.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.5 p -119.7 137.85 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -163.85 156.81 28.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -59.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 -56.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.54 113.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.76 95.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 0.0 110.052 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.94 91.58 2.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.99 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.42 -100.71 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.71 -57.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.28 -174.31 4.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.77 68.43 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -105.35 -12.91 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -66.19 100.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -73.19 -28.45 62.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.07 -134.13 12.03 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.445 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -81.1 84.48 6.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.612 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.441 ' HE2' HD22 ' A' ' 21' ' ' LEU . 34.4 ttm -108.66 139.34 43.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -82.48 129.42 34.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA2' ' NH2' ' A' ' 34' ' ' ARG . . . -39.18 -63.99 1.02 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.16 -35.16 4.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.767 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.57 -63.14 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.25 -49.26 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 0.5 OUTLIER -50.47 -53.19 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.269 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -39.92 88.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.7 mp -60.74 -63.1 1.42 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.62 HD11 ' HB3' ' A' ' 46' ' ' SER . 15.7 mt -49.02 -39.54 27.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 81.2 mt-30 -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.13 -38.53 18.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -77.39 -56.31 4.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.82 -18.6 56.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.584 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -47.97 116.65 4.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 136.32 20.24 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 19.7 m95 72.43 44.15 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 55.5 m -109.99 117.38 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.2 p90 -107.25 168.18 9.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -166.73 147.8 6.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.526 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.6 t -104.16 135.66 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.604 ' NH2' HG11 ' A' ' 44' ' ' VAL . 13.7 ptt85 -146.32 165.8 28.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 4.0 mt-10 -88.6 146.03 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.28 127.28 34.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.058 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 79.5 mt -82.15 -47.4 12.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -16.95 64.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -138.25 106.36 7.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.74 2.79 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.84 -37.3 2.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -76.31 169.24 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -135.99 156.88 48.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.604 HG11 ' NH2' ' A' ' 34' ' ' ARG . 63.0 t -118.07 144.81 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.293 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.3 tp -123.13 91.3 3.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.62 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.8 t -85.68 120.06 26.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.981 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.771 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -118.98 128.85 75.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -80.72 125.13 29.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.49 160.71 15.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -90.99 19.61 5.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -110.3 112.46 57.12 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.596 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -74.96 175.86 10.66 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -44.38 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.61 -26.57 7.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.89 -129.72 6.45 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.92 2.83 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.56 -4.11 19.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 52.7 p -110.92 153.89 43.59 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 110.018 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.415 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.01 140.7 25.73 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 52' ' ' PRO . 94.8 mt -73.12 124.24 25.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.3 160.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.7 t -122.01 154.82 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.4 m -132.77 110.73 10.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 91.2 m-70 -89.21 110.07 20.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 97' ' ' ILE . 2.8 mp -100.05 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -63.24 157.07 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.1 t -130.48 115.56 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.56 ' HE3' ' N ' ' A' ' 77' ' ' GLY . 7.2 mtm -85.98 117.42 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.469 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 17.9 t -104.32 94.11 5.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 108.315 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.51 124.59 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.05 44.34 95.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.425 1.078 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 20.85 50.02 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -119.53 136.7 54.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 0.801 . . . . 0.0 110.268 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -109.86 138.05 46.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.452 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.4 t -155.83 153.83 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.408 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.499 ' C ' ' HE3' ' A' ' 68' ' ' MET . 18.0 m -96.03 6.78 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.9 32.27 1.75 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.81 177.08 18.9 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -46.24 73.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.22 139.46 54.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.492 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 15.4 p -133.68 -175.22 3.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.687 ' HD2' HD12 ' A' ' 88' ' ' LEU . 16.7 m-85 -158.62 157.98 32.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -95.71 -34.15 12.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 m -121.74 137.38 54.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -49.67 -28.97 6.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.3 m -65.66 -55.1 19.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -17.11 22.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' A' ' 82' ' ' PHE . 9.0 tt -87.4 -52.11 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.3 t -66.93 -39.03 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.99 -14.05 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 27.9 t60 -85.45 -52.71 5.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.593 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.403 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 75.2 m-85 -79.36 -7.04 58.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -66.63 -16.26 64.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -112.54 -62.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 52.9 p -52.91 -53.44 49.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.82 -175.83 24.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.577 HD13 HD13 ' A' ' 65' ' ' ILE . 8.1 mt -123.13 149.96 27.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.757 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -108.19 125.42 51.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -74.52 -176.81 2.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.74 -11.51 28.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.83 -5.46 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.17 -2.92 58.07 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.73 153.24 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.79 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -106.44 160.79 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.528 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 41.4 t -138.21 156.86 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -142.05 148.71 38.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.728 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -96.43 99.14 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 12.5 mtt-85 -82.4 -61.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.528 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -136.49 141.26 34.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.98 156.35 43.08 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.459 1.768 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.631 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 71.4 t80 -99.17 149.22 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.974 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -128.6 155.91 44.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.9 t -135.45 137.87 42.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -100.73 -99.95 2.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 165.47 31.2 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 16.9 m -67.94 151.35 47.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.43 118.55 20.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 t -170.14 92.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 0.765 . . . . 0.0 110.031 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.02 113.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.997 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.13 158.22 7.74 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.534 1.146 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -94.38 75.11 3.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.506 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 0.3 OUTLIER 53.82 -165.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.59 64.11 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.644 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -108.06 -13.94 14.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 100.01 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.839 ' CD2' HD13 ' A' ' 32' ' ' LEU . 88.5 m-70 -73.58 -32.05 63.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.34 -140.06 15.06 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.26 87.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.1 ttm -112.23 127.88 56.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.666 ' HA ' HD12 ' A' ' 37' ' ' LEU . 5.0 t -69.12 141.2 54.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -53.44 -64.23 4.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.85 -26.73 2.94 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.746 ' HG2' HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -74.83 -63.8 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.49 -51.3 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -48.87 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.03 -40.9 74.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.409 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.746 HD11 ' HG2' ' A' ' 17' ' ' GLN . 1.9 mp -59.22 -59.59 5.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 46' ' ' SER . 21.7 mt -52.39 -41.0 62.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -68.56 -40.05 80.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 20' ' ' THR . . . -52.62 -35.93 55.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' CG ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -78.95 -56.65 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.12 -22.47 38.26 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.562 1.164 . . . . 0.0 110.995 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.566 ' O ' HD23 ' A' ' 48' ' ' LEU . 12.2 mp0 -47.12 115.93 3.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.319 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.04 137.6 21.84 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 17.4 m95 73.4 40.78 0.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 89.3 m -107.31 116.68 32.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.844 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.5 p90 -107.12 166.72 10.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.839 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.8 pp -166.25 143.34 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.644 HG21 ' CE3' ' A' ' 8' ' ' TRP . 11.3 t -96.61 133.45 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -144.48 165.98 26.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.51 139.65 31.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.67 110.09 9.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 14' ' ' SER . 14.6 mt -64.1 -43.43 95.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -32.23 72.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -121.28 95.83 48.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 108.66 2.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 132.5 -19.99 4.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.34 -171.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -147.06 154.5 41.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -118.97 146.19 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.605 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -123.1 92.63 3.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.607 ' HB2' HD11 ' A' ' 22' ' ' LEU . 4.9 m -85.63 119.7 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.797 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.5 t -120.28 127.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 27' ' ' GLU . 14.7 tp -80.01 121.21 25.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.94 160.66 17.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -92.35 26.52 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -116.27 111.94 42.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.542 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.0 170.64 19.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -90.2 -44.38 9.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.578 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.59 -27.31 7.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.72 -127.36 5.96 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 107.11 2.41 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.544 1.813 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 117.61 -3.45 17.67 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.578 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 43.7 p -112.9 153.56 45.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.09 29.91 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.6 mt -75.09 123.23 24.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -41.52 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.1 t -123.52 145.51 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.6 m -123.39 118.09 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -99.45 109.26 21.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.652 ' CD1' HD13 ' A' ' 97' ' ' ILE . 2.9 mp -96.7 92.55 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 142.83 41.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -116.38 127.31 74.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 6.8 mtm -100.85 110.73 22.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 42.9 t -96.38 94.36 7.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 108.269 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -128.91 139.73 51.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.29 33.5 39.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.69 15.74 69.1 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -118.62 133.41 55.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 85' ' ' LEU . 85.8 m-85 -102.51 140.12 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.4 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.3 t -155.45 149.29 25.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 m -94.85 7.41 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.19 14.72 7.55 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.438 1.087 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.72 176.84 19.05 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -44.48 72.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.419 ' OE1' ' NE2' ' A' ' 91' ' ' HIS . 5.9 mt-10 -59.09 146.4 38.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.453 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.7 p -134.48 -177.02 4.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 88' ' ' LEU . 21.3 m-85 -156.49 155.57 32.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.81 -31.03 14.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.2 m -128.73 145.94 51.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.5 mm? -55.59 -28.42 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -66.03 -50.55 63.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.67 -15.03 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.639 HD23 ' C ' ' A' ' 88' ' ' LEU . 2.1 tt -87.93 -46.69 9.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -71.02 -40.35 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.66 -12.11 42.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.276 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.419 ' NE2' ' OE1' ' A' ' 80' ' ' GLU . 79.3 t60 -83.79 -59.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.558 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.72 -6.99 53.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.3 -17.06 63.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 -63.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 77.2 p -53.5 -56.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.65 -178.63 25.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.652 HD13 ' CD1' ' A' ' 65' ' ' ILE . 5.9 mt -119.66 143.48 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -96.78 129.56 44.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -85.26 164.31 18.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.31 -14.91 62.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -83.4 -19.64 35.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.68 -22.66 16.46 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.9 45.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.86 158.92 15.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.555 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 91.7 t -132.68 148.73 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -135.32 151.8 50.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.844 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -100.15 101.06 12.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -84.54 -59.58 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -135.18 138.35 28.94 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.0 156.79 43.02 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.666 ' CD2' HD22 ' A' ' 32' ' ' LEU . 20.9 t80 -80.04 148.53 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -135.52 111.87 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.55 143.32 29.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.954 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.05 101.12 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.92 5.08 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.783 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.03 151.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.4 m -116.74 135.09 54.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -154.87 135.35 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -76.17 131.8 39.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.62 131.36 2.61 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 t -145.91 111.6 5.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 8' ' ' TRP . 92.4 p 55.48 175.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.033 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.484 ' O ' ' CD1' ' A' ' 8' ' ' TRP . . . 170.64 99.76 0.13 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.614 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -177.12 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -51.8 102.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.584 ' CD2' HD13 ' A' ' 32' ' ' LEU . 95.0 m-70 -78.98 -26.19 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.593 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.21 -112.9 4.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -97.13 81.3 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.606 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.453 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 27.3 tpp -109.88 141.09 43.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.0 m -80.36 128.15 33.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.96 -61.44 2.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.49 -34.83 6.83 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.758 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.85 -63.65 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.94 -53.45 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.584 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -45.58 -50.32 13.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -70.02 -43.34 71.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.2 mp -57.21 -56.0 27.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.9 mt -53.74 -46.09 70.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -63.83 -43.93 94.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.18 -38.3 17.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -53.53 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.43 -23.67 26.58 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 87.5 mt-10 -41.15 115.6 1.33 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.747 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -75.01 126.63 10.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.526 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 19.3 m95 83.82 54.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 3.1 m -123.14 117.41 25.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.2 p90 -107.29 168.39 9.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD13 ' CD2' ' A' ' 10' ' ' HIS . 2.4 pp -165.58 137.0 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.614 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 6.9 t -96.65 130.69 44.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 13' ' ' MET . 0.4 OUTLIER -146.33 138.04 24.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -65.75 136.25 55.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.443 ' OG ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -73.34 103.6 4.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.64 -50.16 74.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.39 -29.48 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -121.51 93.56 48.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.73 3.63 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.34 -21.37 5.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.54 -171.83 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -148.28 157.84 43.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.443 HG23 ' OG ' ' A' ' 36' ' ' SER . 51.3 t -119.75 145.96 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.525 HD11 ' HD2' ' A' ' 31' ' ' PHE . 62.7 tp -125.85 99.45 5.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 22' ' ' LEU . 2.5 m -92.83 116.58 29.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.006 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.668 HG22 ' CB ' ' A' ' 31' ' ' PHE . 76.7 t -114.75 135.96 52.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 11.9 tp -86.75 128.17 35.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.28 162.19 13.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -92.33 24.83 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -112.67 107.02 55.23 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.643 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.94 173.4 14.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.433 1.754 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -93.73 -44.16 8.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.46 -26.92 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.99 -127.21 5.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.69 3.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 110.983 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.11 -1.3 29.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 80.6 p -110.19 153.75 43.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.03 26.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.643 HD23 ' CA ' ' A' ' 52' ' ' PRO . 85.6 mt -77.71 126.45 30.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -46.01 157.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HG2' ' A' ' 19' ' ' GLU . 87.0 t -120.81 146.4 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -123.79 117.96 26.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 42.5 m-70 -96.55 110.68 23.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.608 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.56 93.01 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -56.53 143.03 36.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.6 t -114.64 109.14 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.508 ' HB2' HG23 ' A' ' 75' ' ' THR . 20.5 mtm -80.89 114.62 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.3 t -102.09 93.52 5.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 108.276 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -126.36 134.62 51.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 55.63 33.92 59.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.52 19.38 72.74 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.27 134.32 55.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' THR . 29.9 m-85 -100.74 136.04 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.508 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.6 OUTLIER -155.24 145.94 22.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.55 7.23 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' CA ' ' HE1' ' A' ' 68' ' ' MET . . . 115.99 15.55 7.23 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -113.23 176.83 17.72 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.79 -47.0 70.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.97 143.86 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.49 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 11.9 p -133.03 -175.52 3.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.399 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CD2' HD12 ' A' ' 88' ' ' LEU . 19.5 m-85 -158.88 153.09 23.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -91.42 -36.45 13.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 m -121.62 145.93 47.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.85 -32.0 67.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.7 m -64.19 -45.9 86.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -13.11 61.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.786 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -92.8 -50.17 5.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.662 HG11 ' CE2' ' A' ' 31' ' ' PHE . 3.0 t -67.01 -37.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.8 -7.28 49.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -90.25 -52.13 5.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.643 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 83.8 m-85 -81.1 -7.45 59.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -67.82 -17.44 64.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.78 -62.35 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 77.3 p -54.97 -58.7 6.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.79 -179.29 21.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.485 HD12 HD11 ' A' ' 107' ' ' LEU . 7.5 mt -124.17 153.35 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 0.803 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -108.13 134.42 51.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.319 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -90.5 177.15 6.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.29 -12.28 47.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -89.31 16.57 7.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.24 17.12 71.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -108.93 154.16 22.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -108.5 153.9 22.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.526 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 93.0 t -129.97 149.74 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -134.76 148.6 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -99.82 83.27 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -67.11 -41.83 85.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -155.7 150.9 21.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.448 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.1 Cg_endo -75.03 -170.45 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.487 1.783 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.611 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 55.3 t80 -124.73 147.78 48.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -120.01 148.58 43.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -121.03 108.22 13.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.45 80.07 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 165.44 31.35 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.9 p -116.85 96.49 5.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 93.6 p -45.55 147.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 t -176.41 106.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 0.787 . . . . 0.0 109.958 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.67 85.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.21 132.92 3.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -114.66 66.67 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.428 ' HB3' ' CE2' ' A' ' 8' ' ' TRP . 0.5 OUTLIER 175.66 177.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.974 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.84 66.5 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.63 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -104.81 -18.09 14.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.523 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 48.1 t80 -60.49 103.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 75.5 m-70 -77.65 -2.64 36.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 92.9 -116.97 5.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -110.98 89.27 3.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.628 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.598 ' HE3' HD22 ' A' ' 21' ' ' LEU . 1.8 tpp -103.17 159.27 15.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.9 t -99.63 129.1 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.461 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -37.63 -63.91 0.8 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.33 -41.03 6.35 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.745 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -63.25 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -53.83 1.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.533 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.1 mt-10 -45.0 -49.88 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.165 . . . . 0.0 110.337 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -71.24 -42.67 68.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.745 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -56.97 -50.7 71.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.67 ' HB3' HD13 ' A' ' 48' ' ' LEU . 23.3 mt -61.05 -41.72 97.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 85.0 mt-30 -65.54 -43.16 90.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.51 60.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.88 -55.98 5.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.79 -9.01 78.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.723 ' O ' HD23 ' A' ' 48' ' ' LEU . 45.0 mt-10 -56.48 116.91 14.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.99 132.01 14.94 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.4 m95 74.01 42.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 108.004 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 11.7 m -107.54 118.95 38.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.82 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.9 p90 -107.44 165.66 11.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 32' ' ' LEU . 2.4 pp -164.07 141.55 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG21 ' CE3' ' A' ' 8' ' ' TRP . 5.5 t -96.66 131.01 44.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.795 ' NH2' HG11 ' A' ' 44' ' ' VAL . 31.0 ptt85 -145.44 141.11 28.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 3.6 mt-10 -75.16 147.55 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.02 136.75 35.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 12' ' ' HIS . 86.9 mt -84.68 -51.85 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.5 p -64.12 -22.5 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.19 98.57 32.57 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 105.91 2.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.52 1.8 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.51 -28.52 4.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.74 171.92 10.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -138.5 156.7 47.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.795 HG11 ' NH2' ' A' ' 34' ' ' ARG . 60.8 t -120.62 144.75 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 31' ' ' PHE . 5.6 tp -120.07 100.11 7.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.534 ' HG ' ' HD1' ' A' ' 64' ' ' HIS . 2.0 m -94.15 116.98 29.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.731 HG22 ' CB ' ' A' ' 31' ' ' PHE . 53.7 t -117.44 130.53 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 27' ' ' GLU . 12.9 tp -82.05 129.48 34.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.6 158.42 15.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.83 21.13 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -113.24 109.78 51.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.642 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.03 171.87 17.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -91.03 -44.75 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -115.35 -27.01 7.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.19 -125.86 5.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.435 1.085 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.54 3.14 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.85 -1.14 28.76 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.643 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.4 p -111.75 153.84 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -74.95 146.04 32.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD23 ' CA ' ' A' ' 52' ' ' PRO . 80.9 mt -82.0 126.3 31.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -44.63 150.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG11 ' HG2' ' A' ' 19' ' ' GLU . 64.1 t -113.39 150.28 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 HD11 ' A' ' 65' ' ' ILE . 1.8 m -129.38 112.21 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.534 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 55.5 m-70 -98.29 118.87 35.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.621 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -107.93 98.73 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 145.96 41.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -118.0 122.97 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.422 ' HB2' HG23 ' A' ' 75' ' ' THR . 12.2 mtm -93.59 120.6 34.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 10.3 t -105.76 93.72 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.336 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -125.55 123.65 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.83 37.56 94.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.75 28.06 72.04 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mtt180 -127.82 136.14 51.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.313 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD2' HD22 ' A' ' 85' ' ' LEU . 30.0 m-85 -102.73 138.67 39.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.457 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.5 t -155.64 149.03 24.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.9 m -94.47 7.14 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.34 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 22.65 5.0 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -117.97 176.98 16.37 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -38.5 76.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.27 146.52 54.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 ' HB ' ' A' ' 75' ' ' THR . 3.5 p -136.47 -178.9 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' CD2' HD12 ' A' ' 88' ' ' LEU . 30.6 m-85 -154.71 156.49 36.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -95.33 -36.05 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 p -122.12 139.5 53.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 74' ' ' TYR . 1.6 mm? -53.36 -25.94 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.6 m -67.96 -45.47 74.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.357 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -12.17 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.676 HD12 ' CD2' ' A' ' 82' ' ' PHE . 8.3 tt -92.86 -53.74 4.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 31' ' ' PHE . 43.3 t -62.9 -37.51 79.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.22 -6.54 50.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -94.2 -50.59 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.605 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 74.5 m-85 -80.98 -7.35 59.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -63.38 -13.39 38.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 -64.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 46.3 p -52.04 -27.52 14.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.24 -173.9 45.16 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.565 1.165 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.535 HD13 HD13 ' A' ' 65' ' ' ILE . 8.6 mt -127.66 149.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 109.268 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -108.16 124.69 50.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.41 175.55 9.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.5 36.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.99 -19.94 60.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 112.11 -19.21 23.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.31 146.09 37.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 0.762 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.17 163.1 13.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.512 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 45.8 t -133.67 165.07 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.478 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 53.3 m-85 -151.0 148.86 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.82 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.3 mp -100.63 95.81 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -82.04 -33.01 30.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -165.32 150.22 7.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 112' ' ' TYR . 18.3 Cg_endo -74.99 156.31 43.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.638 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.9 t80 -58.98 -40.59 85.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER 49.77 102.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.37 -44.08 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 144.5 131.43 2.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.97 28.48 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.47 1.774 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.09 124.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.6 p -178.32 -57.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.68 -69.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 1' ' ' GLY . 90.7 p -44.85 144.47 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.41 -112.98 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -53.21 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.48 ' CB ' ' CZ2' ' A' ' 8' ' ' TRP . 0.0 OUTLIER 175.86 -174.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.92 47.64 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -107.06 -25.16 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 75.7 t80 -55.08 101.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.588 ' HD2' HD13 ' A' ' 32' ' ' LEU . 91.5 m-70 -74.28 -24.27 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.618 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.56 -131.96 10.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -88.87 80.2 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.547 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 9.5 tpp -101.57 150.14 23.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.7 t -88.16 126.44 35.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -39.41 -64.03 1.06 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -43.27 -35.97 2.79 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.761 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -65.4 -63.72 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 110.306 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.6 -50.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HG2' HG11 ' A' ' 62' ' ' VAL . 3.5 mt-10 -47.54 -53.05 15.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 110.341 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -68.12 -41.46 81.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.761 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.4 mp -58.17 -56.88 16.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' ' 46' ' ' SER . 24.1 mt -53.69 -44.46 69.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.7 mt-30 -63.97 -49.5 72.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.5 -39.42 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -53.06 8.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -8.09 78.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.746 ' O ' HD23 ' A' ' 48' ' ' LEU . 23.7 mt-10 -56.07 115.5 9.92 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -74.99 128.36 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.507 1.793 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 17.4 m95 79.73 48.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 28.8 m -117.37 117.15 28.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.8 p90 -106.36 167.53 9.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -165.41 140.17 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 8' ' ' TRP . 8.0 t -97.32 132.52 41.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.495 ' NH2' HG11 ' A' ' 44' ' ' VAL . 28.7 ptt85 -146.44 164.89 31.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -88.92 139.73 30.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.32 127.62 32.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.23 -41.84 27.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.48 -26.39 63.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -126.94 95.07 37.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.55 3.35 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 127.74 -25.15 5.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.37 -171.34 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -144.32 154.4 43.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' NH2' ' A' ' 34' ' ' ARG . 39.5 t -117.54 145.33 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 HD11 ' HD2' ' A' ' 31' ' ' PHE . 64.1 tp -122.78 98.81 6.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.575 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.4 m -92.38 118.12 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.729 HG22 ' CB ' ' A' ' 31' ' ' PHE . 65.9 t -117.23 133.95 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.2 tp -85.37 131.29 34.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.8 160.74 14.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.16 21.16 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -109.07 108.82 60.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.624 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.96 173.68 14.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -94.93 -44.22 7.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.22 -26.91 8.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.47 -125.35 5.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.046 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.64 3.15 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 2.29 32.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.704 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 59.8 p -113.65 151.72 44.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.2 Cg_endo -75.04 142.1 27.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.515 1.798 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.624 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.6 mt -76.42 127.12 32.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 165.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.4 t -126.21 149.03 30.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.4 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.3 m -127.12 118.09 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 65.7 m-70 -98.75 114.07 26.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 109.59 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 97' ' ' ILE . 3.2 mp -101.72 93.14 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.28 142.27 43.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.3 t -117.27 107.68 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.493 ' HE3' ' C ' ' A' ' 76' ' ' VAL . 7.5 mtm -81.19 126.07 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.4 t -110.03 93.57 4.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.103 . . . . 0.0 108.332 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.68 133.38 48.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.12 33.18 86.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.3 24.56 70.72 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -127.85 143.04 51.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' HB3' HD12 ' A' ' 88' ' ' LEU . 44.7 m-85 -104.68 140.15 38.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.1 t -155.74 151.5 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.493 ' C ' ' HE3' ' A' ' 68' ' ' MET . 15.1 m -94.02 7.14 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 116.05 5.97 16.84 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.8 174.77 21.92 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.0 -48.31 76.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -54.93 139.43 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.548 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.2 p -130.55 -176.18 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.535 ' CE2' ' HG ' ' A' ' 88' ' ' LEU . 17.8 m-85 -155.97 164.17 38.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.75 -36.24 8.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.248 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -123.12 141.01 52.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -34.1 41.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.5 m -59.23 -47.78 84.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -17.7 64.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' HG ' ' CE2' ' A' ' 82' ' ' PHE . 7.3 tt -85.27 -47.03 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 31' ' ' PHE . 21.6 t -71.55 -43.02 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -69.3 -6.54 30.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -88.89 -56.24 3.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.546 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -79.6 -7.41 58.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -62.16 -14.28 35.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.88 -64.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 95' ' ' THR . 46.2 p -52.91 -35.94 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.07 173.28 47.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.548 HD13 HD13 ' A' ' 65' ' ' ILE . 7.5 mt -111.0 150.7 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.777 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -107.36 130.93 54.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -80.71 -178.9 6.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.81 -2.2 56.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.36 -5.34 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 102.52 -18.25 51.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.71 154.03 36.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -110.82 161.06 16.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.542 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 92.2 t -134.46 147.11 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -131.41 152.47 50.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.125 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.925 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.2 mp -101.64 99.33 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 108' ' ' ARG . 13.2 mtp-105 -82.35 -38.22 24.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -162.02 147.49 10.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -75.01 176.92 9.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 65.8 t80 -113.52 149.38 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.491 ' CD1' ' N ' ' A' ' 112' ' ' TYR . 0.9 OUTLIER -121.62 164.66 16.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.3 t -145.15 120.46 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -91.39 141.46 15.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.449 1.093 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.55 23.27 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.0 m -111.76 113.76 26.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.2 p 178.48 145.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.49 -48.34 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 0.752 . . . . 0.0 110.021 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.11 -51.06 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.8 176.1 50.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -177.5 -62.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.554 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 5.2 p -77.72 154.54 31.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.56 33.95 0.19 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.565 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.32 -25.94 11.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -56.44 106.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.804 ' CD2' HD13 ' A' ' 32' ' ' LEU . 89.8 m-70 -79.8 -30.24 40.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.637 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.33 -122.77 6.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.494 ' CD2' ' CD1' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -89.19 90.62 8.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.617 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 37.4 tpp -113.25 140.14 48.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 17' ' ' GLN . 9.1 m -83.7 125.92 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.66 -64.05 0.92 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.97 -32.36 4.66 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.734 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -69.33 -65.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 0.79 . . . . 0.0 110.268 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.9 -52.07 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' HG2' HG11 ' A' ' 62' ' ' VAL . 1.5 mt-10 -47.79 -49.57 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -71.26 -41.32 70.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.7 mp -57.98 -57.58 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.626 ' O ' HD22 ' A' ' 48' ' ' LEU . 26.3 mt -51.71 -39.3 58.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.47 -47.53 60.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.23 -38.44 5.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -54.9 5.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 -7.66 81.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.694 ' O ' HD23 ' A' ' 48' ' ' LEU . 56.2 mt-10 -57.65 116.78 15.24 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -75.01 132.16 15.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.94 39.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 108.027 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 18.2 m -105.04 116.84 32.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.777 ' CB ' HG22 ' A' ' 47' ' ' VAL . 6.9 p90 -107.3 168.74 9.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.804 HD13 ' CD2' ' A' ' 10' ' ' HIS . 1.6 pp -166.71 139.48 3.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.565 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 10.9 t -96.11 132.84 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.677 ' NH2' HG11 ' A' ' 44' ' ' VAL . 22.3 ptt85 -145.24 148.69 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -73.76 137.51 43.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.76 126.68 31.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.06 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 7.6 mp -84.61 -37.78 20.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.25 -17.95 60.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.0 mp0 -133.89 105.93 11.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 110.311 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 113.77 3.87 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 111.066 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -37.96 3.08 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -175.93 4.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -146.79 161.54 40.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.677 HG11 ' NH2' ' A' ' 34' ' ' ARG . 38.8 t -119.94 146.58 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD11 ' HD2' ' A' ' 31' ' ' PHE . 58.3 tp -127.35 96.8 4.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 m -90.11 122.3 32.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.777 HG22 ' CB ' ' A' ' 31' ' ' PHE . 52.2 t -120.61 135.79 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.694 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -87.22 130.86 34.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.71 163.16 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -96.29 22.83 7.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -116.89 113.16 39.95 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.603 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.0 168.45 24.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.468 1.772 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -96.9 -40.52 8.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -123.8 34.34 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.07 -134.69 34.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.34 20.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.521 1.8 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.64 -8.36 68.6 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.761 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 4.8 p -110.69 153.57 43.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 0.767 . . . . 0.0 110.045 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.28 39.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.603 HD23 ' CA ' ' A' ' 52' ' ' PRO . 52.6 mt -81.84 130.78 35.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -45.93 154.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.549 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.4 t -113.94 149.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.6 m -131.24 120.2 22.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -102.94 118.52 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.573 ' CD1' HD13 ' A' ' 97' ' ' ILE . 3.2 mp -99.47 92.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 145.45 17.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -119.31 121.1 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.573 ' HB2' HG23 ' A' ' 75' ' ' THR . 16.4 mtm -93.95 119.77 33.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.5 p -96.64 97.1 9.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.368 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.54 122.42 37.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.93 96.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.11 13.54 62.24 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -115.78 138.64 50.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.591 ' CD2' HD22 ' A' ' 85' ' ' LEU . 29.0 m-85 -99.21 142.25 30.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.573 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.3 OUTLIER -155.37 144.68 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 m -88.35 6.82 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' HE3' ' A' ' 68' ' ' MET . . . 115.82 5.41 18.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.97 176.06 27.95 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -38.77 79.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.95 150.1 43.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.505 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 1.2 p -137.23 -174.6 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.39 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.845 ' CD2' HD12 ' A' ' 88' ' ' LEU . 9.2 m-85 -158.34 154.84 27.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -33.81 15.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 149.89 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.591 HD22 ' CD2' ' A' ' 74' ' ' TYR . 2.3 mm? -57.04 -30.65 64.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -61.19 -48.72 80.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -13.58 62.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.845 HD12 ' CD2' ' A' ' 82' ' ' PHE . 10.5 tt -89.88 -50.89 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.7 t -65.15 -38.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.48 -9.18 58.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -87.97 -52.72 5.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.598 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -81.36 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.128 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.54 -15.77 58.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.91 -63.99 1.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 82.8 p -53.12 -36.74 61.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.15 -172.7 54.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 65' ' ' ILE . 7.4 mt -127.82 152.83 36.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 0.794 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -110.76 124.09 51.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -75.63 172.51 12.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.32 -17.99 53.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.95 -14.89 59.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.954 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 105.28 -9.12 45.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.11 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.97 148.3 26.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -98.76 162.19 13.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.509 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 72.6 t -137.93 156.98 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -141.83 148.68 39.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.767 HD12 ' N ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -100.69 88.66 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 108' ' ' ARG . 15.8 mtp-105 -71.68 -55.7 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -140.66 147.52 49.2 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 175.78 10.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 21.1 t80 -101.07 123.89 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -112.81 98.36 7.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 t -90.77 166.01 13.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -118.88 -179.71 16.82 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.9 t -126.73 141.52 51.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.71 136.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -103.24 160.84 14.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.98 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -139.92 102.96 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.039 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.5 -94.1 0.23 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.551 1.157 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.47 128.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 110.035 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.513 ' CB ' ' NE1' ' A' ' 8' ' ' TRP . 1.3 m -55.32 -174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.71 69.91 0.41 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.556 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -106.85 -17.58 14.17 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -60.59 99.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 74.6 m-70 -69.89 -27.61 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.37 -135.81 13.01 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -82.86 91.74 7.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.59 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.3 ttm -111.82 148.21 34.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -85.66 124.77 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -38.15 -63.58 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.9 -38.12 10.01 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.756 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.71 -62.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 110.262 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.55 -50.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -51.76 -47.65 64.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -71.2 -37.72 72.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.0 mp -63.09 -56.6 15.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.665 ' O ' HD22 ' A' ' 48' ' ' LEU . 28.3 mt -55.99 -39.25 71.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.41 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 86.3 mt-30 -69.32 -51.59 35.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.7 -34.06 4.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -76.73 -59.82 2.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.46 46.08 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' O ' HD23 ' A' ' 48' ' ' LEU . 33.8 mt-10 -48.61 113.27 2.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 0.751 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 139.24 23.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.506 1.792 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 21.5 m95 71.63 41.23 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 79.8 m -110.21 116.57 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.434 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.823 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -106.71 166.64 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.768 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.95 140.62 6.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG21 ' CE3' ' A' ' 8' ' ' TRP . 10.8 t -96.8 132.74 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.514 HH21 HG11 ' A' ' 44' ' ' VAL . 50.1 ptt85 -145.94 146.79 31.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.89 140.13 45.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.24 143.08 39.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.3 mt -94.28 -51.11 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -64.9 -25.03 67.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.963 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -120.43 103.15 44.62 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 109.22 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.38 -26.31 8.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -88.31 164.26 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -127.67 157.77 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.514 HG11 HH21 ' A' ' 34' ' ' ARG . 37.3 t -118.75 146.48 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD11 ' HD2' ' A' ' 31' ' ' PHE . 61.2 tp -124.56 101.93 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.8 m -94.37 122.07 36.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' CB ' ' A' ' 31' ' ' PHE . 55.0 t -122.8 132.83 70.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 22' ' ' LEU . 15.2 tp -86.86 116.86 25.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.72 161.21 22.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -91.54 24.87 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -114.4 111.77 46.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.565 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.96 174.81 12.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -95.14 -44.26 7.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -113.93 -26.88 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.41 -131.21 6.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 106.51 2.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 121.06 -4.54 11.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.493 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 87.9 p -113.14 153.61 45.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.1 Cg_endo -75.02 142.69 28.09 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 52' ' ' PRO . 66.2 mt -75.12 128.57 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.658 HG11 ' HG2' ' A' ' 19' ' ' GLU . 96.6 t -128.05 146.49 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -125.82 118.24 25.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -99.65 108.84 21.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.656 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 97' ' ' ILE . 2.7 mp -94.43 95.17 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -61.59 131.3 49.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -103.32 124.81 57.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.489 ' HB2' HG23 ' A' ' 75' ' ' THR . 15.2 mtm -97.95 112.56 24.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 52.3 t -100.06 94.19 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 108.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -128.3 138.14 52.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 56.8 35.21 66.93 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.79 28.73 73.75 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.5 mtt85 -133.52 138.6 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.556 ' CE1' HD21 ' A' ' 85' ' ' LEU . 63.6 m-85 -102.42 140.35 36.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 68' ' ' MET . 0.7 OUTLIER -155.58 144.58 20.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.406 ' HB ' HG23 ' A' ' 65' ' ' ILE . 2.6 m -90.58 7.28 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.29 7.23 14.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -101.02 176.74 27.23 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -41.69 74.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -60.91 150.67 32.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.46 ' C ' ' CG ' ' A' ' 82' ' ' PHE . 1.6 p -138.79 -177.4 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.46 ' CG ' ' C ' ' A' ' 81' ' ' THR . 25.3 m-85 -157.59 163.54 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -98.9 -36.09 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.7 p -119.74 146.81 45.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.556 HD21 ' CE1' ' A' ' 74' ' ' TYR . 1.4 mm? -57.96 -37.43 74.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.453 ' HG1' ' HZ2' ' A' ' 8' ' ' TRP . 86.6 m -58.37 -45.65 87.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -21.53 66.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -81.74 -48.32 11.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.5 t -68.45 -42.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.29 -12.74 54.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -85.71 -54.34 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -79.04 -7.32 58.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -64.53 -13.3 51.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.97 -64.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 53.3 p -51.89 -62.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.399 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' CA ' ' O ' ' A' ' 105' ' ' VAL . . . 110.75 168.69 19.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 65' ' ' ILE . 5.6 mt -109.97 136.72 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -86.1 135.5 33.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -94.65 -176.2 3.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.19 -6.14 58.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.6 14.11 29.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.56 20.68 70.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -110.86 148.56 32.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.32 159.54 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.555 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 95.9 t -127.19 148.33 31.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 106' ' ' TYR . 0.6 OUTLIER -123.76 143.23 50.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.823 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.8 mp -98.71 82.67 2.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 11.6 mtp-105 -61.12 -63.0 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -136.95 147.04 57.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.95 171.29 18.6 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 26.6 t80 -99.82 133.07 44.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -120.65 110.28 16.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.8 p -87.92 -57.04 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 161.75 -171.12 37.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 128.96 11.91 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.9 t -125.52 119.53 28.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.9 m -150.93 125.23 9.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 m -149.47 124.57 10.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -152.62 162.61 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.23 87.97 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.94 -62.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.963 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -138.29 150.81 47.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.003 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.02 36.92 0.56 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.438 1.086 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.631 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -116.57 -42.71 2.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -51.36 106.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.536 ' CD2' ' O ' ' A' ' 8' ' ' TRP . 87.8 m-70 -86.1 -29.93 22.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.561 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.12 -111.48 3.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.437 1.085 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 91.33 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.77 . . . . 0.0 109.576 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.9 ttm -116.28 155.67 27.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.58 127.26 49.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.4 -63.18 1.42 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.4 -40.95 6.41 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.774 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -62.07 -63.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 110.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -37.13 -51.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.6 OUTLIER -49.52 -50.08 43.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 110.264 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.3 m -68.99 -38.22 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.5 mp -64.17 -61.6 2.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 46' ' ' SER . 40.3 mt -48.79 -42.79 37.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 94.5 mt-30 -69.08 -48.9 61.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.8 -34.83 3.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.07 -61.62 1.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 103.65 -32.31 7.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.692 ' O ' HD23 ' A' ' 48' ' ' LEU . 98.5 mt-10 -38.01 113.69 0.71 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 0.735 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.3 Cg_endo -74.98 138.91 23.7 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' CZ3' HG13 ' A' ' 105' ' ' VAL . 15.8 m95 74.41 47.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 19.3 m -115.41 115.53 26.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 110.397 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.907 ' CG ' HD23 ' A' ' 107' ' ' LEU . 8.9 p90 -107.32 166.0 10.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.696 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -164.11 136.57 4.95 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.631 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 4.3 t -96.96 139.12 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -145.74 159.7 42.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -83.48 135.96 34.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 39' ' ' GLN . 80.2 p -70.85 126.42 29.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 mp -94.25 -42.61 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -87.53 -25.24 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' CB ' ' HB2' ' A' ' 36' ' ' SER . 0.0 OUTLIER -93.39 137.36 23.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 122.82 7.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.523 1.802 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 37.89 59.34 1.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.535 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.6 OUTLIER -138.08 179.47 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.747 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 42' ' ' ASP . 13.5 m-85 -144.89 157.53 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.0 t -122.77 142.19 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' ' 31' ' ' PHE . 12.5 tp -117.05 99.36 7.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.602 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.4 t -91.41 110.49 21.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.016 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.673 HG22 ' CB ' ' A' ' 31' ' ' PHE . 92.5 t -112.98 126.51 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 27' ' ' GLU . 16.6 tp -77.89 124.47 28.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -88.38 165.97 14.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -97.47 14.65 25.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -104.96 111.81 65.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.611 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.05 171.62 17.96 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -91.45 -44.53 9.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.92 -26.98 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.04 -129.71 6.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.11 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 111.6 3.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.458 1.767 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 114.72 -5.45 22.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.478 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 54.1 p -110.86 153.5 43.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 0.729 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.4 Cg_endo -74.97 143.16 28.84 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 52' ' ' PRO . 83.9 mt -76.53 127.31 32.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -45.2 160.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' A' ' 19' ' ' GLU . 61.0 t -120.29 153.12 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 65' ' ' ILE . 1.8 m -128.86 113.62 15.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.392 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -93.38 101.91 14.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.592 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 63' ' ' THR . 2.4 mp -91.87 96.44 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 133.72 52.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.0 t -101.15 126.57 54.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.6 mtm -93.37 110.95 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.519 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 19.7 t -99.7 93.27 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.56 142.82 50.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 54.61 31.44 52.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.44 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -121.57 148.88 43.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.294 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.519 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 69.9 m-85 -111.44 139.74 46.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 1.6 t -155.92 150.06 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.2 m -93.4 6.54 6.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 24.77 4.47 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.043 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.46 177.11 16.69 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.35 -48.78 71.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -56.75 141.73 43.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.4 p -134.11 -174.55 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CG ' ' C ' ' A' ' 81' ' ' THR . 16.1 m-85 -159.24 158.48 32.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -94.37 -36.43 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 p -125.17 146.44 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -54.72 -32.79 60.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 m -59.14 -46.3 88.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -17.9 62.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.583 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.6 tt -85.48 -48.74 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.645 HG11 ' CE2' ' A' ' 31' ' ' PHE . 4.9 t -68.64 -54.65 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.14 -18.11 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.3 t60 -79.3 -61.29 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.597 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 53.5 m-85 -72.71 -6.6 45.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -65.67 -15.46 62.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 91' ' ' HIS . 2.0 pttt -115.0 -62.74 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 43.6 p -52.3 -57.24 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.02 172.75 26.37 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.526 HD13 HD13 ' A' ' 65' ' ' ILE . 7.2 mt -111.41 155.35 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 15.8 tt0 -115.06 130.02 56.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -83.43 173.12 11.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.0 -27.34 43.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 t -69.32 -13.33 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.72 -21.96 29.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.115 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -71.98 154.64 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.3 m-85 -111.78 150.66 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.599 HG13 ' CZ3' ' A' ' 29' ' ' TRP . 88.7 t -122.51 147.02 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -130.87 154.42 48.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.907 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.7 OUTLIER -102.08 95.76 6.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HG3' ' CB ' ' A' ' 29' ' ' TRP . 13.2 mtp180 -76.34 -50.35 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -146.77 141.23 15.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.4 Cg_endo -74.93 160.7 40.03 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.596 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.6 t80 -91.97 111.91 23.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -80.62 -59.19 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.2 t 65.66 99.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.024 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -150.13 118.52 0.94 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 147.0 33.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.995 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.06 137.37 23.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 m -169.15 115.64 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 110.953 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -159.65 158.78 32.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 0.0 110.021 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -154.37 73.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.76 -177.48 0.12 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.494 ' HB2' HG21 ' A' ' 86' ' ' THR . 63.2 p -91.62 103.39 15.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' HB3' ' NE1' ' A' ' 8' ' ' TRP . 0.4 OUTLIER 55.88 -172.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.0 68.59 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' CE3' HG21 ' A' ' 33' ' ' VAL . 0.0 OUTLIER -109.75 -11.0 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CE2' ' HA2' ' A' ' 11' ' ' GLY . 78.5 t80 -67.48 100.82 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 82.7 m-70 -74.31 -24.28 59.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' HA2' ' CE2' ' A' ' 9' ' ' TYR . . . 107.13 -137.24 13.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -81.64 102.82 10.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 0.735 . . . . 0.0 109.601 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.432 ' CE ' HD22 ' A' ' 21' ' ' LEU . 39.1 ttm -121.67 143.23 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -83.48 133.77 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.24 -59.84 2.88 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.54 26.78 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.748 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -68.97 -63.43 1.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.7 -48.62 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -54.01 -48.85 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -69.29 -39.53 78.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -60.6 -57.34 13.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.672 ' HB3' HD13 ' A' ' 48' ' ' LEU . 41.7 mt -53.71 -39.59 65.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 59' ' ' PRO . 91.8 mt-30 -69.59 -42.86 73.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.34 -35.39 38.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HE2' ' CE1' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -77.44 -62.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.98 -14.95 62.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.768 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -55.56 119.4 24.46 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.2 Cg_endo -75.01 132.88 15.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.503 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 23.2 m95 75.09 46.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 108.023 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 27' ' ' GLU . 11.6 m -111.26 116.74 31.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.794 ' CG ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -106.71 166.14 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.719 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -163.35 144.52 9.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' CE3' ' A' ' 8' ' ' TRP . 4.9 t -102.07 128.66 54.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.848 HH21 HG11 ' A' ' 44' ' ' VAL . 3.4 ptt180 -145.9 147.78 32.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 12' ' ' HIS . 1.5 tt0 -72.95 146.5 46.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.03 135.34 35.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.75 -45.36 11.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -29.2 70.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -128.3 106.42 19.52 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.294 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.75 4.1 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.54 -40.31 2.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.39 171.78 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.763 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -135.6 160.15 39.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.848 HG11 HH21 ' A' ' 34' ' ' ARG . 98.9 t -123.52 146.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.59 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.0 tp -122.22 96.4 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 22' ' ' LEU . 1.2 t -89.77 120.21 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' CB ' ' A' ' 31' ' ' PHE . 79.7 t -117.72 136.47 54.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.8 tp -86.67 126.5 34.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 159.68 16.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.24 22.66 3.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -115.25 111.43 44.6 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.3 Cg_endo -75.04 174.71 12.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -96.96 -43.16 7.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.749 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -112.68 -27.31 8.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 124.52 -123.3 5.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.38 4.57 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.75 5.5 56.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.749 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 78.2 p -112.0 153.14 44.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HB2' ' NE2' ' A' ' 23' ' ' GLN . 18.3 Cg_endo -75.0 144.16 29.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 91.2 mt -81.66 125.92 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -43.13 155.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.499 HG11 ' HG2' ' A' ' 19' ' ' GLU . 91.6 t -118.77 149.03 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -129.19 111.93 13.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -89.9 111.07 22.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -98.8 93.7 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -57.59 154.59 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 t -127.46 126.94 68.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.1 mtm -96.48 111.76 23.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.418 ' SG ' ' CE1' ' A' ' 74' ' ' TYR . 38.1 t -98.97 93.83 6.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 108.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -128.14 141.47 51.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.14 43.23 50.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.89 62.79 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -133.08 143.05 49.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE1' ' SG ' ' A' ' 69' ' ' CYS . 89.4 m-85 -110.56 139.96 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.528 ' HB ' HG22 ' A' ' 81' ' ' THR . 2.4 t -155.69 151.16 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.77 7.15 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 10.79 10.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -105.07 173.34 20.59 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -48.5 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -56.57 148.66 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.7 p -138.49 -178.87 5.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.383 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CG ' ' C ' ' A' ' 81' ' ' THR . 29.9 m-85 -155.46 161.61 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.53 -40.02 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -116.86 140.6 49.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -50.03 -35.24 24.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 HG21 ' HB2' ' A' ' 5' ' ' SER . 7.0 m -58.63 -53.02 63.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -17.55 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 74' ' ' TYR . 8.1 tt -87.44 -54.16 4.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.673 HG11 ' CE2' ' A' ' 31' ' ' PHE . 5.3 t -64.35 -40.04 87.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -64.35 -15.37 60.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -83.44 -57.35 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.604 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.437 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 91.3 m-85 -75.4 -6.86 52.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -68.15 -10.93 57.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.84 -60.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.437 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 58.9 p -54.18 -51.7 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 102.7 -174.58 23.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.49 HD13 HD13 ' A' ' 65' ' ' ILE . 10.7 mt -126.26 151.62 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -111.31 121.32 44.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.88 -173.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -97.03 -22.54 16.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 m -72.94 -21.74 60.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.52 6.73 21.35 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.557 1.161 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -101.02 151.91 21.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -103.86 159.15 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.503 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 42.5 t -132.4 158.86 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -142.57 151.61 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.794 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.6 OUTLIER -105.29 94.4 5.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -44.81 20.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -148.58 145.88 21.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -74.98 178.06 7.75 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 30.5 t80 -105.32 128.72 53.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -119.5 106.33 12.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.9 t -97.48 168.35 10.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.979 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -178.62 146.83 7.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.63 30.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -124.02 132.85 53.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.5 t -171.39 145.67 2.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -117.84 119.6 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -100.01 -61.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.25 -131.69 1.8 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.5 90.07 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 110.048 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.497 ' CB ' ' CZ2' ' A' ' 8' ' ' TRP . 1.9 p -95.9 -175.92 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.985 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.14 41.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.497 ' CZ2' ' CB ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -112.76 -4.07 14.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.86 100.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 32' ' ' LEU . 89.6 m-70 -69.45 -33.91 73.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.581 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.24 -119.64 5.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.436 1.085 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -96.52 83.96 3.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.606 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 ttm -106.99 140.25 40.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -79.41 129.05 34.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -40.22 -62.3 1.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.0 6.32 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.764 ' C ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -66.09 -63.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.53 -55.29 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -47.47 -48.19 26.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.1 m -70.69 -40.14 73.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.398 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD12 ' C ' ' A' ' 17' ' ' GLN . 1.5 mp -60.33 -59.58 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 48' ' ' LEU . 17.2 mt -51.19 -40.46 58.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.28 -49.73 58.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.29 -35.29 2.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -62.8 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 102.31 -32.93 6.97 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 30' ' ' THR . 93.0 mt-10 -38.05 115.67 0.83 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.92 23.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 18.3 m95 72.84 50.03 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 6.4 m -118.3 119.35 34.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.787 ' CB ' HG22 ' A' ' 47' ' ' VAL . 4.8 p90 -106.76 170.48 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD12 ' O ' ' A' ' 32' ' ' LEU . 3.7 pp -167.18 136.73 2.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.0 t -96.49 124.63 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.853 HH21 HG11 ' A' ' 44' ' ' VAL . 0.4 OUTLIER -146.66 142.17 27.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.86 150.36 46.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.7 130.42 34.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -77.55 -35.85 52.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -33.57 48.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -112.27 97.43 39.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 113.24 3.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -26.5 7.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -94.84 176.78 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.93 160.56 38.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.853 HG11 HH21 ' A' ' 34' ' ' ARG . 52.6 t -122.97 147.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD11 ' HD2' ' A' ' 31' ' ' PHE . 63.6 tp -123.71 93.95 4.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' HD11 ' A' ' 22' ' ' LEU . 1.9 m -88.39 119.39 28.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.787 HG22 ' CB ' ' A' ' 31' ' ' PHE . 48.8 t -120.62 133.78 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.1 tp -84.33 126.03 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.12 159.08 16.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.412 ' CG ' ' CZ2' ' A' ' 29' ' ' TRP . 4.8 p-10 -91.03 25.84 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -118.08 113.16 37.63 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.626 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -91.64 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.44 -27.13 7.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.68 -127.36 5.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 119.01 5.46 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.25 -1.07 46.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.4 p -110.35 153.67 43.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 141.45 26.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.626 HD23 ' CA ' ' A' ' 52' ' ' PRO . 90.8 mt -77.72 125.8 29.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -44.08 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 48' ' ' LEU . 84.2 t -120.49 150.6 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -127.16 114.01 17.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HD1' ' HG ' ' A' ' 46' ' ' SER . 43.7 m-70 -99.38 111.28 23.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 97' ' ' ILE . 2.7 mp -99.44 93.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -53.35 147.99 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.3 t -127.57 110.93 23.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 2.5 mtm -88.59 123.37 33.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.481 ' HB2' ' CE1' ' A' ' 74' ' ' TYR . 24.4 t -102.36 95.94 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -122.35 133.41 54.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 60.83 23.86 61.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 -11.25 61.89 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.2 mtt85 -92.49 155.97 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 69' ' ' CYS . 74.9 m-85 -116.38 145.09 43.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -155.02 152.4 29.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.428 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.5 m -95.93 7.16 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.64 17.68 6.89 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -121.09 174.2 15.76 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -41.88 99.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.14 133.1 54.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 74' ' ' TYR . 3.1 p -127.52 176.82 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.42 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -149.55 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -89.56 -43.9 10.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.4 m -125.47 153.25 43.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -59.72 -30.81 69.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -60.37 -44.23 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.4 -18.05 61.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 88' ' ' LEU . 8.6 tt -83.53 -49.16 9.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.677 HG11 ' CE2' ' A' ' 31' ' ' PHE . 13.9 t -69.32 -37.98 76.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.344 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -73.29 -6.72 47.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -89.12 -52.89 4.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.648 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -81.6 -7.51 59.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -65.49 -12.65 54.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 -64.08 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 71.9 p -52.43 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.412 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.25 174.46 18.56 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.847 HD13 HD13 ' A' ' 65' ' ' ILE . 5.5 mt -120.32 133.36 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -91.04 130.56 36.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.088 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.11 161.55 21.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.38 -15.73 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.9 m -81.82 -18.94 42.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.65 -18.45 29.62 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -72.41 152.45 41.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.27 153.63 20.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.514 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 98.1 t -129.34 148.63 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -132.24 151.95 51.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD23 ' CG ' ' A' ' 31' ' ' PHE . 1.1 mp -101.53 84.39 2.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.91 -26.53 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -178.15 160.16 1.21 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 112' ' ' TYR . 18.5 Cg_endo -75.02 169.3 22.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.629 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 4.3 t80 -78.29 -14.66 59.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 110' ' ' PRO . 12.7 m-85 37.28 89.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.527 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 6.2 p -51.29 -40.05 58.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.965 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 88.31 -141.12 16.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 67.7 5.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.96 144.28 28.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 t 40.68 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.446 1.091 . . . . 0.0 111.004 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -100.4 163.88 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 0.786 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -160.07 113.68 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.69 126.88 5.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -128.12 93.64 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.777 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 p 46.78 85.06 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.175 . . . . 0.0 109.949 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.84 61.42 0.56 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.633 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.4 OUTLIER -149.51 -46.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 32.7 t80 -49.94 102.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 111' ' ' TYR . 91.7 m-70 -83.43 -26.33 30.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.627 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.13 -113.69 4.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 92.87 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.569 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 14' ' ' SER . 13.1 tpp -120.75 147.94 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 13.5 t -80.72 142.12 34.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.476 ' HA2' ' CZ ' ' A' ' 34' ' ' ARG . . . -56.27 -64.3 4.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.135 . . . . 0.0 111.023 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -44.73 -29.91 2.11 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.766 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -70.64 -63.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 0.754 . . . . 0.0 110.263 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' CB ' ' NH1' ' A' ' 34' ' ' ARG . . . -38.13 -49.17 1.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.57 ' HG2' HG11 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -52.42 -48.92 65.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.0 OUTLIER -68.93 -43.57 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 17' ' ' GLN . 2.8 mp -57.21 -56.39 22.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 46' ' ' SER . 36.8 mt -53.1 -48.27 67.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -61.11 -50.44 73.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.66 -39.99 3.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -53.0 8.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 93.39 -25.18 21.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.829 ' O ' HD23 ' A' ' 48' ' ' LEU . 99.1 mt-10 -38.42 112.42 0.67 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.4 Cg_endo -74.95 128.58 11.64 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.019 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.8 m95 79.37 56.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' A' ' 109' ' ' GLN . 75.9 m -125.62 118.61 26.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.824 ' CB ' HD23 ' A' ' 107' ' ' LEU . 7.4 p90 -107.06 165.97 10.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.753 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -165.06 134.65 3.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.633 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.7 t -96.57 129.27 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CZ ' ' HA2' ' A' ' 15' ' ' GLY . 3.5 ptt-85 -146.62 136.65 23.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -60.68 129.27 40.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.94 133.88 54.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.82 -35.49 17.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 m -74.43 -32.17 62.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.11 100.45 33.08 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -24.67 8.2 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.143 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.99 -176.79 3.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -144.29 155.33 43.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.23 145.2 30.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -114.67 109.65 18.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.684 ' HB3' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.82 108.41 19.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.627 HG22 ' CB ' ' A' ' 31' ' ' PHE . 99.4 t -110.56 135.11 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.829 HD23 ' O ' ' A' ' 27' ' ' GLU . 13.1 tp -85.94 126.7 34.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 160.12 14.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -91.62 22.7 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -111.19 109.3 56.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.633 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -75.01 174.31 13.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.792 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -92.42 -45.13 8.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.18 -26.7 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 131.52 -126.5 4.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 124.93 8.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.52 1.8 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.44 -0.57 63.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.6 p -108.12 153.98 41.49 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 142.39 27.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 52' ' ' PRO . 61.0 mt -80.74 126.43 31.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -45.52 164.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' HG2' ' A' ' 19' ' ' GLU . 97.2 t -129.52 147.23 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.55 130.44 53.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.375 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -108.29 109.17 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.594 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -97.84 93.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -54.9 134.7 48.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.93 104.61 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.544 ' HB2' HG23 ' A' ' 75' ' ' THR . 3.2 mpp? -72.3 118.24 14.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 31.2 t -107.06 93.84 4.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.58 141.23 51.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 52.84 37.22 51.98 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.445 1.09 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.41 28.63 71.41 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' CE2' ' CD2' ' A' ' 85' ' ' LEU . 34.0 m-85 -101.8 139.86 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -154.75 143.66 20.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -88.62 7.0 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.92 4.23 19.1 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.0 176.34 21.93 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 4.5 mm? -62.26 -56.85 14.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -44.98 144.28 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.564 HG22 ' HB ' ' A' ' 75' ' ' THR . 2.0 p -137.65 -172.87 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.528 ' CG ' ' C ' ' A' ' 81' ' ' THR . 11.7 m-85 -160.42 170.6 20.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -105.73 -37.26 6.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.7 m -125.39 150.7 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.011 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 2.8 mm? -59.18 -32.92 70.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 39.2 m -60.66 -45.78 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.414 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -16.79 63.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.578 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.0 tt -89.36 -50.12 6.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 31' ' ' PHE . 2.6 t -64.63 -42.33 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.43 -6.87 38.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -93.16 -49.69 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -83.28 -6.91 59.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.94 -8.34 36.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -62.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.409 HG23 ' H ' ' A' ' 95' ' ' THR . 49.3 p -51.7 -45.8 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.396 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.24 -176.29 32.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.851 HD13 HD13 ' A' ' 65' ' ' ILE . 12.2 mt -128.15 150.25 33.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.551 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 22.7 tt0 -112.83 132.3 55.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.357 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.17 169.2 16.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.9 -17.39 50.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -18.44 56.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 114.97 -23.09 11.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.77 152.5 40.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.263 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CE1' ' HG3' ' A' ' 98' ' ' GLU . 4.5 m-85 -109.48 147.83 32.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.473 ' HA ' ' CZ3' ' A' ' 29' ' ' TRP . 60.4 t -119.25 162.45 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.442 ' N ' HG12 ' A' ' 105' ' ' VAL . 29.5 m-85 -147.27 148.96 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.824 HD23 ' CB ' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -98.74 95.82 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -50.11 11.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -145.87 141.48 16.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.232 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.2 Cg_endo -75.05 166.41 29.2 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 23.9 t80 -96.74 105.16 17.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -73.71 -47.14 41.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.5 t 60.03 155.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.056 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -113.62 -142.02 8.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -51.25 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.505 1.792 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.97 135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.25 108.88 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 111.063 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 t -108.06 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t 55.95 98.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.13 159.75 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -164.25 156.21 16.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -110.26 113.12 25.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' A' ' 112' ' ' TYR . . . -131.4 77.52 0.39 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.665 ' CE3' ' CG2' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -143.88 -47.21 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' N ' ' CE3' ' A' ' 8' ' ' TRP . 43.2 t80 -50.68 101.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.609 ' CD2' HD13 ' A' ' 32' ' ' LEU . 87.2 m-70 -80.84 -33.29 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.16 -109.3 3.0 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.552 ' CD2' HD21 ' A' ' 37' ' ' LEU . 2.3 t-160 -97.83 92.38 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 0.795 . . . . 0.0 109.595 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 47.0 ttm -119.02 155.55 31.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -100.69 125.56 47.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' SER . . . -37.53 -64.03 0.77 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -45.53 -35.68 5.64 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.752 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.54 -63.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 0.723 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 17' ' ' GLN . . . -38.22 -52.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HA ' HG21 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -47.38 -49.57 24.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' GLN . 1.2 m -70.82 -40.63 72.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 17' ' ' GLN . 1.9 mp -59.73 -56.92 15.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.695 ' HB3' HD13 ' A' ' 48' ' ' LEU . 31.2 mt -52.43 -39.55 61.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -71.11 -43.46 67.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -36.25 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.13 -55.72 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLU . . . 95.41 -29.25 9.85 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' O ' HD23 ' A' ' 48' ' ' LEU . 55.8 mt-10 -38.33 115.85 0.87 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 29' ' ' TRP . 18.0 Cg_endo -75.0 136.96 21.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CZ3' ' HA ' ' A' ' 105' ' ' VAL . 20.6 m95 74.84 50.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 111' ' ' TYR . 9.7 m -118.35 117.69 29.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.395 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' A' ' 107' ' ' LEU . 6.3 p90 -107.52 168.18 9.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 111.055 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.658 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -165.94 136.0 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.665 ' CG2' ' CE3' ' A' ' 8' ' ' TRP . 2.8 t -96.7 134.48 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.533 HH21 HG11 ' A' ' 44' ' ' VAL . 36.8 ptt85 -146.59 142.65 28.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.4 tt0 -67.15 137.64 56.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.42 136.81 49.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' A' ' 12' ' ' HIS . 83.4 mt -96.08 -22.89 17.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m -82.92 -26.83 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -137.35 120.81 11.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 110.9 3.2 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.48 1.779 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.89 -41.37 1.81 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' CG ' ' SG ' ' A' ' 69' ' ' CYS . 1.0 OUTLIER -71.85 169.97 14.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 35' ' ' GLU . 59.8 m-85 -140.82 159.85 41.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.533 HG11 HH21 ' A' ' 34' ' ' ARG . 60.8 t -119.52 140.97 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.64 HD11 ' HB2' ' A' ' 31' ' ' PHE . 7.3 tp -116.6 102.54 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' HD11 ' A' ' 22' ' ' LEU . 3.1 m -96.3 110.98 23.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.031 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.721 HG22 ' CB ' ' A' ' 31' ' ' PHE . 71.4 t -113.86 129.25 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 22' ' ' LEU . 12.4 tp -81.2 123.43 28.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 p -89.06 160.55 17.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -92.55 24.12 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -114.2 110.13 48.49 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.63 ' CA ' HD23 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.07 173.39 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -94.03 -43.98 8.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.618 ' HB3' ' HB3' ' A' ' 58' ' ' SER . . . -114.22 -27.04 7.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.38 -126.26 5.69 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.01 3.69 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.43 1.63 35.2 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 60.5 p -113.89 153.85 46.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 146.28 32.67 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.63 HD23 ' CA ' ' A' ' 52' ' ' PRO . 88.3 mt -81.82 127.08 32.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.84 149.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.424 HG21 ' HA ' ' A' ' 19' ' ' GLU . 87.4 t -111.83 151.48 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -128.56 119.02 24.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 19' ' ' GLU . 63.5 m-70 -100.82 106.66 18.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' ILE . 2.5 mp -94.03 98.72 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -61.37 133.72 56.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.77 111.85 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.511 ' HB2' HG23 ' A' ' 75' ' ' THR . 2.2 mpp? -75.57 106.42 7.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.405 ' SG ' ' CG ' ' A' ' 42' ' ' ASP . 14.3 p -94.13 93.07 7.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -126.48 137.49 53.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.27 52.45 32.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 50.21 28.26 13.05 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -132.5 148.27 52.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -108.96 142.66 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 ' HB2' ' A' ' 68' ' ' MET . 1.1 t -155.81 150.43 26.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.365 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -94.03 6.21 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' HA2' ' HE2' ' A' ' 68' ' ' MET . . . 114.4 18.09 6.81 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -115.96 176.83 16.71 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 mt -69.72 -32.47 71.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.82 136.28 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 75' ' ' THR . 1.8 p -128.68 -178.23 4.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.41 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.804 ' CD2' HD12 ' A' ' 88' ' ' LEU . 24.3 m-85 -155.2 165.13 37.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -98.41 -41.23 7.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 p -124.53 153.43 42.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.37 -31.93 68.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.4 m -59.7 -53.54 56.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.34 -15.62 37.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.804 HD12 ' CD2' ' A' ' 82' ' ' PHE . 9.6 tt -91.14 -53.55 4.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.646 HG11 ' CE2' ' A' ' 31' ' ' PHE . 11.1 t -62.15 -45.38 98.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -68.97 -7.76 38.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -93.86 -52.03 4.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.406 ' HA ' ' OG1' ' A' ' 95' ' ' THR . 61.3 m-85 -80.56 -7.18 59.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -63.77 -12.96 39.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -63.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 92' ' ' PHE . 45.6 p -53.05 -23.37 7.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.429 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 -174.12 40.04 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.123 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.645 HD13 HD13 ' A' ' 65' ' ' ILE . 15.5 mt -124.22 149.99 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 0.744 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 104' ' ' PHE . 17.4 tt0 -108.95 124.29 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -77.8 178.78 7.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.51 -25.46 20.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.06 -13.39 62.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 109.89 -23.14 22.25 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.71 152.32 39.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 98' ' ' GLU . 5.2 m-85 -108.6 151.45 26.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.544 ' CG1' HG11 ' A' ' 47' ' ' VAL . 45.0 t -120.55 165.28 16.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.482 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 54.9 m-85 -149.11 142.45 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.872 HD23 ' CG ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -93.08 87.19 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -70.87 -57.85 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -139.04 141.19 29.14 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.503 ' HB3' ' CE1' ' A' ' 31' ' ' PHE . 18.3 Cg_endo -75.04 156.69 42.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.614 ' CE2' ' HB3' ' A' ' 21' ' ' LEU . 72.4 t80 -100.51 131.51 46.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.501 ' CE2' ' HA3' ' A' ' 7' ' ' GLY . 8.1 m-85 -107.68 172.9 6.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.9 p -126.42 118.83 25.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -96.11 133.49 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.81 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.0 p -154.41 116.61 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.54 86.2 4.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 179.965 . . . . . . . . 0 0 . 1 stop_ save_